| SpectraBase Spectrum ID |
AXURCvYDJ3K |
| Name |
Methyl (Z)-4-oxo-2-octenethioate |
| Alternate Name(s) |
(Z)-4-Oxo-oct-2-enethioic acid S-methyl ester
O-methyl (2Z)-4-oxo-2-octenethioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14O2S |
| InChI |
InChI=1S/C9H14O2S/c1-3-4-5-8(10)6-7-9(11)12-2/h6-7H,3-5H2,1-2H3/b7-6- |
| InChIKey |
YCXXPNHSEJWSRF-SREVYHEPSA-N |
| Molecular Weight |
186.269 g/mol |
| SMILES |
C(\C=C/C(=O)CCCC)(=O)SC |
| SPLASH |
splash10-000i-0900000000-f621bd641dcceaba46fd |
| Source of Spectrum |
QA-43-181-3 |
| Wiley ID |
862244 |
