| SpectraBase Compound ID | I2ZxCTiOeCs |
|---|---|
| InChI | InChI=1S/C8H16OS/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 |
| InChIKey | XBNCUVKYQNARCE-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 | 3huD6Bf08gG |
|---|---|
| Name | Heptanethioic acid, S-methyl ester |
| Alternate Name(s) | S-Methyl heptanethioate |
| CAS Registry Number | 2432-82-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H16OS |
| InChI | InChI=1S/C8H16OS/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 |
| InChIKey | XBNCUVKYQNARCE-UHFFFAOYSA-N |
| Molecular Weight | 160.275 g/mol |
| SMILES | C(C(SC)=O)CCCCC |
| SPLASH | splash10-0006-9200000000-5ceb38e16020bdbb8ca4 |
| Source of Spectrum | EP-1952-0-0 |
| Wiley ID | 1156695 |