SpectraBase Compound ID | I2ZxCTiOeCs |
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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 |
SpectraBase Spectrum ID | 3huD6Bf08gG |
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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 |