| SpectraBase Spectrum ID |
2xtCZrKOQ5L |
| Name |
Methyl (E)-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-SNAWJCMRSA-N |
| Molecular Weight |
172.242 g/mol |
| SMILES |
C(\C=C\C(=O)C(C)C)(=O)SC |
| SPLASH |
splash10-004i-0900000000-4e735d84c0a3d7d65d93 |
| Source of Spectrum |
QA-43-284-3 |
| Synonyms |
S-methyl (2E)-5-methyl-4-oxo-2-hexenethioate |
| Wiley ID |
862310 |
