![2-nitrobenzo[b]thiophene](/api/spectrum/GpFCpCLy2vN/structure.png?h=300&w=458 "2-nitrobenzo[b]thiophene")
| SpectraBase Compound ID | JWBUsP3nTRq |
|---|---|
| InChI | InChI=1S/C8H5NO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H |
| InChIKey | OEEJLOZQSKNWQQ-UHFFFAOYSA-N |
| Mol Weight | 179.19 g/mol |
| Molecular Formula | C8H5NO2S |
| Exact Mass | 179.0041 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GpFCpCLy2vN |
|---|---|
| Name | 2-nitro-1-benzothiophene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H5NO2S |
| InChI | InChI=1S/C8H5NO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H |
| InChIKey | OEEJLOZQSKNWQQ-UHFFFAOYSA-N |
| Molecular Weight | 179.193 g/mol |
| SMILES | c12c(cc(s2)N(=O)=O)cccc1 |
| SPLASH | splash10-001i-0900000000-148e406255b6b8c16626 |
| Source of Spectrum | K1-2003-1720-19 |
| Synonyms | 2-Nitrobenzothiophene |
| Wiley ID | 1520983 |