| SpectraBase Compound ID | 8lCchVM6j4f |
|---|---|
| InChI | InChI=1S/C12H7NO2S/c14-13(15)9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7H |
| InChIKey | KQMDOQZISNQQOT-UHFFFAOYSA-N |
| Mol Weight | 229.25 g/mol |
| Molecular Formula | C12H7NO2S |
| Exact Mass | 229.01975 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D5yUhSXIDQ2 |
|---|---|
| Name | 1-Nitrodibenzothiophene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H7NO2S |
| InChI | InChI=1S/C12H7NO2S/c14-13(15)9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7H |
| InChIKey | KQMDOQZISNQQOT-UHFFFAOYSA-N |
| Molecular Weight | 229.253 g/mol |
| SMILES | c12c(sc3c2cccc3)cccc1[N+]([O-])=O |
| SPLASH | splash10-003r-0790000000-4805bf8727293aaea74f |
| Source of Spectrum | SB-51-845-8 |
| Synonyms | 1-Nitrodibenzo[b,d]thiophene |
| Wiley ID | 1231528 |