| SpectraBase Compound ID | 8udeH7696au |
|---|---|
| InChI | InChI=1S/C12H7NO2S/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H |
| InChIKey | ZPEZGWPZHITXSF-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 | 4Xvz02vD5yO |
|---|---|
| Name | 3-Nitrodibenzothiophene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H7NO2S |
| InChI | InChI=1S/C12H7NO2S/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H |
| InChIKey | ZPEZGWPZHITXSF-UHFFFAOYSA-N |
| Molecular Weight | 229.253 g/mol |
| SMILES | c1([N+]([O-])=O)cc2sc3ccccc3c2cc1 |
| SPLASH | splash10-0059-0690000000-4b63def7484451710be5 |
| Source of Spectrum | SB-51-845-0 |
| Synonyms | 3-Nitrodibenzo[b,d]thiophene |
| Wiley ID | 1231526 |