| SpectraBase Compound ID | 3n03GmZ4Xri |
|---|---|
| InChI | InChI=1S/C5H6O2S/c1-8-5(7)3-2-4-6/h2-4H,1H3/b3-2+ |
| InChIKey | FXDRCRQMSJXBDS-NSCUHMNNSA-N |
| Mol Weight | 130.16 g/mol |
| Molecular Formula | C5H6O2S |
| Exact Mass | 130.008851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | N4W4Sz5tlY |
|---|---|
| Name | Methyl (E)-4-oxo-2-butenethioate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H6O2S |
| InChI | InChI=1S/C5H6O2S/c1-8-5(7)3-2-4-6/h2-4H,1H3/b3-2+ |
| InChIKey | FXDRCRQMSJXBDS-NSCUHMNNSA-N |
| Molecular Weight | 130.161 g/mol |
| SMILES | C(\C=C\C=O)(=O)SC |
| SPLASH | splash10-001i-9300000000-d2de49ceb74c6f2a5122 |
| Source of Spectrum | QA-43-284-3 |
| Synonyms | S-methyl (2E)-4-oxo-2-butenethioate |
| Wiley ID | 862312 |