| SpectraBase Compound ID | 6Wq9oEUR1GG |
|---|---|
| InChI | InChI=1S/C8H16OS/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 |
| InChIKey | BTAOYCNQKIYVQA-UHFFFAOYSA-N |
| Mol Weight | 160.27 g/mol |
| Molecular Formula | C8H16OS |
| Exact Mass | 160.092186 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4GfukgeSVpn |
|---|---|
| Name | Hexanethioic acid, S-ethyl ester |
| Alternate Name(s) | S-Ethyl hexanethioate |
| CAS Registry Number | 2450-12-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H16OS |
| InChI | InChI=1S/C8H16OS/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 |
| InChIKey | BTAOYCNQKIYVQA-UHFFFAOYSA-N |
| Molecular Weight | 160.275 g/mol |
| SMILES | C(C(SCC)=O)CCCC |
| SPLASH | splash10-006y-9000000000-128ab4d16572186b9629 |
| Source of Spectrum | EP-1951-0-0 |
| Wiley ID | 1156696 |