| SpectraBase Compound ID | 6RXi6fC4Ote |
|---|---|
| InChI | InChI=1S/C9H16OS/c1-3-4-8-11-9(2)6-5-7-10/h5-7,9H,3-4,8H2,1-2H3/b6-5+ |
| InChIKey | JMBARFDKIITYBY-AATRIKPKSA-N |
| Mol Weight | 172.29 g/mol |
| Molecular Formula | C9H16OS |
| Exact Mass | 172.092186 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BOwIExfRuF4 |
|---|---|
| Name | 4-Butylthio-2-pentenal |
| Alternate Name(s) | (2E)-4-(butylsulfanyl)-2-pentenal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H16OS |
| InChI | InChI=1S/C9H16OS/c1-3-4-8-11-9(2)6-5-7-10/h5-7,9H,3-4,8H2,1-2H3/b6-5+ |
| InChIKey | JMBARFDKIITYBY-AATRIKPKSA-N |
| Molecular Weight | 172.286 g/mol |
| SMILES | C(\C=C\C(C)SCCCC)=O |
| SPLASH | splash10-001i-9500000000-2b415ece2e29f4f3be4d |
| Source of Spectrum | F-49-10648-5 |
| Wiley ID | 788907 |