Record Information |
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Version | 2.0 |
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Created at | 2024-06-06 03:47:43 UTC |
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Updated at | 2024-09-16 20:04:13 UTC |
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NP-MRD ID | NP0333376 |
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Natural Product DOI | https://doi.org/10.57994/2754 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 4,6-Dibromo-3-methoxy-9H-carbazole |
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Description | 4,6-Dibromo-3-methoxy-9H-carbazole belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Based on a literature review very few articles have been published on 4,6-Dibromo-3-methoxy-9H-carbazole. |
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Structure | COC1=C(Br)C2=C(NC3=CC=C(Br)C=C23)C=C1 InChI=1S/C13H9Br2NO/c1-17-11-5-4-10-12(13(11)15)8-6-7(14)2-3-9(8)16-10/h2-6,16H,1H3 |
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Synonyms | Not Available |
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Chemical Formula | C13H9Br2NO |
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Average Mass | 355.0290 Da |
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Monoisotopic Mass | 352.90509 Da |
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IUPAC Name | 4,6-dibromo-3-methoxy-9H-carbazole |
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Traditional Name | 4,6-dibromo-3-methoxy-9H-carbazole |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(Br)C2=C(NC3=CC=C(Br)C=C23)C=C1 |
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InChI Identifier | InChI=1S/C13H9Br2NO/c1-17-11-5-4-10-12(13(11)15)8-6-7(14)2-3-9(8)16-10/h2-6,16H,1H3 |
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InChI Key | DNVLTPKSJHODNA-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | 17854207085@163.com | Ocean university of China | Yan Pengcheng | 2024-06-06 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | 17854207085@163.com | Ocean university of China | Yan Pengcheng | 2024-06-06 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | 17854207085@163.com | Ocean university of China | Yan Pengcheng | 2024-06-06 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | 17854207085@163.com | Ocean university of China | Yan Pengcheng | 2024-06-06 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | 17854207085@163.com | Ocean university of China | Yan Pengcheng | 2024-06-06 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 499.778946338, C2D6OS, simulated) | 17854207085@163.com | Ocean university of China | Yan Pengcheng | 2024-06-06 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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sp. | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Indoles and derivatives |
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Sub Class | Carbazoles |
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Direct Parent | Carbazoles |
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Alternative Parents | |
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Substituents | - Carbazole
- Indole
- Anisole
- Alkyl aryl ether
- Benzenoid
- Heteroaromatic compound
- Pyrroline
- Pyrrole
- Azacycle
- Bromoalkene
- Haloalkene
- Vinyl halide
- Vinyl bromide
- Secondary amine
- Ether
- Secondary aliphatic amine
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organobromide
- Organohalogen compound
- Amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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