| SpectraBase Spectrum ID |
1KYSc4jmky |
| Name |
Methyl (Z)-5-methyl-4-oxo-2-hexenethioate |
| Alternate Name(s) |
(Z)-5-Methyl-4-oxo-hex-2-enethioic acid S-methyl ester
O-methyl (2Z)-5-methyl-4-oxo-2-hexenethioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H12O2S |
| InChI |
InChI=1S/C8H12O2S/c1-6(2)7(9)4-5-8(10)11-3/h4-6H,1-3H3/b5-4- |
| InChIKey |
BZXDTTKCUNEKDT-PLNGDYQASA-N |
| Molecular Weight |
172.242 g/mol |
| SMILES |
C(\C=C/C(=O)C(C)C)(=O)SC |
| SPLASH |
splash10-004i-0900000000-0e04add2e977b07b9272 |
| Source of Spectrum |
QA-43-181-3 |
| Wiley ID |
862245 |
