| SpectraBase Compound ID | KEqWafu6slz |
|---|---|
| InChI | InChI=1S/C8H14O2S/c1-3-4-5-6-7(11-2)8(9)10/h4-5,7H,3,6H2,1-2H3,(H,9,10)/b5-4+ |
| InChIKey | MVJCBNCUCQRDQH-SNAWJCMRSA-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 | FVIXymhGeYp |
|---|---|
| Name | 2-Methylthio-4-heptenoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H14O2S |
| InChI | InChI=1S/C8H14O2S/c1-3-4-5-6-7(11-2)8(9)10/h4-5,7H,3,6H2,1-2H3,(H,9,10)/b5-4+ |
| InChIKey | MVJCBNCUCQRDQH-SNAWJCMRSA-N |
| Molecular Weight | 174.258 g/mol |
| SMILES | OC(=O)C(SC)C\C=C\CC |
| SPLASH | splash10-0a4i-0900000000-c7d2163baaf8be407ed8 |
| Source of Spectrum | QA-45-160-3 |
| Synonyms | (4E)-2-(methylsulfanyl)-4-heptenoic acid |
| Wiley ID | 862743 |