| SpectraBase Compound ID | 3Xk7QG9Smbb |
|---|---|
| InChI | InChI=1S/C6H7NO2S/c1-4-6(3-10-7-4)9-5(2)8/h3H,1-2H3 |
| InChIKey | RMQSKLZSXDCBFX-UHFFFAOYSA-N |
| Mol Weight | 157.19 g/mol |
| Molecular Formula | C6H7NO2S |
| Exact Mass | 157.01975 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4lXo4XTdjdy |
|---|---|
| Name | ACETIC ACID, 3-METHYL-ISOTHIAZOL-4-YL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H7NO2S |
| InChI | InChI=1S/C6H7NO2S/c1-4-6(3-10-7-4)9-5(2)8/h3H,1-2H3 |
| InChIKey | RMQSKLZSXDCBFX-UHFFFAOYSA-N |
| Molecular Weight | 157.0196 |
| SMILES | c1(OC(C)=O)csnc1C |
| SPLASH | splash10-004i-3900000000-ead942caa5acb4c80627 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |