| SpectraBase Compound ID | 7oZCENxOx7g |
|---|---|
| InChI | InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3 |
| InChIKey | CFOAUYCPAUGDFF-UHFFFAOYSA-N |
| Mol Weight | 195.24 g/mol |
| Molecular Formula | C9H9NO2S |
| Exact Mass | 195.0354 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J2iURM2n7aq |
|---|---|
| Name | BENZENE, 1-[(ISOCYANOMETHYL)SULFONYL]-4-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H9NO2S |
| InChI | InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3 |
| InChIKey | CFOAUYCPAUGDFF-UHFFFAOYSA-N |
| Molecular Weight | 195.0352 |
| SMILES | Cc1ccc(S(C[N+]#[C-])(=O)=O)cc1 |
| SPLASH | splash10-052f-9300000000-3631050904e14b074009 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |