| SpectraBase Compound ID | DwfT8JY1kWf |
|---|---|
| InChI | InChI=1S/C9H16O2S/c1-4-5-6-7-8(12-3)9(10)11-2/h5-6,8H,4,7H2,1-3H3/b6-5+ |
| InChIKey | AEBMPAPVFYGLTQ-AATRIKPKSA-N |
| Mol Weight | 188.28 g/mol |
| Molecular Formula | C9H16O2S |
| Exact Mass | 188.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DNDpSTykp89 |
|---|---|
| Name | Methyl 2-methylthio-4-heptenoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H16O2S |
| InChI | InChI=1S/C9H16O2S/c1-4-5-6-7-8(12-3)9(10)11-2/h5-6,8H,4,7H2,1-3H3/b6-5+ |
| InChIKey | AEBMPAPVFYGLTQ-AATRIKPKSA-N |
| Molecular Weight | 188.285 g/mol |
| SMILES | C(=O)(C(SC)C\C=C\CC)OC |
| SPLASH | splash10-000i-9600000000-688cc6958bbc63060b77 |
| Source of Spectrum | QA-44-496-3 |
| Synonyms | Methyl (4E)-2-(methylsulfanyl)-4-heptenoate |
| Wiley ID | 862654 |