| SpectraBase Compound ID | 1XL3Oz5eBiR |
|---|---|
| InChI | InChI=1S/C8H14O2S/c1-3-5-8(10)11-6-7(9)4-2/h3-6H2,1-2H3 |
| InChIKey | BISOHKKLTGWDCY-UHFFFAOYSA-N |
| Mol Weight | 174.26 g/mol |
| Molecular Formula | C8H14O2S |
| Exact Mass | 174.071451 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KYuH3q1FlEp |
|---|---|
| Name | BUTYRIC ACID, THIO-, S-ESTER WITH 1-MERCAPTO-2-BUTANONE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H14O2S |
| InChI | InChI=1S/C8H14O2S/c1-3-5-8(10)11-6-7(9)4-2/h3-6H2,1-2H3 |
| InChIKey | BISOHKKLTGWDCY-UHFFFAOYSA-N |
| Molecular Weight | 174.0711 |
| SMILES | CCCC(SCC(CC)=O)=O |
| SPLASH | splash10-00dl-9100000000-9aeea9cf603bfc2f0239 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |