Record Information |
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Version | 2.0 |
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Created at | 2024-06-06 03:48:53 UTC |
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Updated at | 2024-09-16 20:04:14 UTC |
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NP-MRD ID | NP0333378 |
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Natural Product DOI | https://doi.org/10.57994/2756 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 1,4-Dibromo-3-methoxy-9H-carbazole |
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Description | Not Available |
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Structure | COC1=C(Br)C2=C(NC3=CC=CC=C23)C(Br)=C1 InChI=1S/C13H9Br2NO/c1-17-10-6-8(14)13-11(12(10)15)7-4-2-3-5-9(7)16-13/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 | 1,4-dibromo-3-methoxy-9H-carbazole |
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Traditional Name | 1,4-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=CC=C23)C(Br)=C1 |
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InChI Identifier | InChI=1S/C13H9Br2NO/c1-17-10-6-8(14)13-11(12(10)15)7-4-2-3-5-9(7)16-13/h2-6,16H,1H3 |
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InChI Key | XQYKZWOGKWLETK-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 | 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 | 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 |
| 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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Classification | Not classified |
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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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