| Record Information |
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| Version | 2.0 |
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| Created at | 2024-06-06 03:45:59 UTC |
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| Updated at | 2025-06-10 23:41:07 UTC |
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| NP-MRD ID | NP0333373 |
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| Natural Product DOI | https://doi.org/10.57994/2751 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 4-Bromo-3,9-dimethoxy-9H-carbazole |
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| Description | 4-Bromo-3,9-dimethoxy-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-Bromo-3,9-dimethoxy-9H-carbazole. |
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| Structure | CON1C2=CC=CC=C2C2=C1C=CC(OC)=C2Br InChI=1S/C14H12BrNO2/c1-17-12-8-7-11-13(14(12)15)9-5-3-4-6-10(9)16(11)18-2/h3-8H,1-2H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C14H12BrNO2 |
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| Average Mass | 306.1590 Da |
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| Monoisotopic Mass | 305.00514 Da |
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| IUPAC Name | 4-bromo-3,9-dimethoxy-9H-carbazole |
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| Traditional Name | 4-bromo-3,9-dimethoxycarbazole |
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| CAS Registry Number | Not Available |
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| SMILES | CON1C2=CC=CC=C2C2=C1C=CC(OC)=C2Br |
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| InChI Identifier | InChI=1S/C14H12BrNO2/c1-17-12-8-7-11-13(14(12)15)9-5-3-4-6-10(9)16(11)18-2/h3-8H,1-2H3 |
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| InChI Key | PLUZVIGGRYMGLJ-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 | 13C NMR Spectrum (1D, 151 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, 400, 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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| Moorena 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
- Anisole
- Alkyl aryl ether
- Benzenoid
- Substituted pyrrole
- Heteroaromatic compound
- Pyrroline
- Azacycle
- N-organohydroxylamine
- Bromoalkene
- Haloalkene
- Vinyl halide
- Vinyl bromide
- Ether
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organobromide
- Organohalogen compound
- 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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