| SpectraBase Spectrum ID |
5QafDFm0fi3 |
| Name |
Methyl (Z)-4,7-dioxo-2-octenethioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12O3S |
| InChI |
InChI=1S/C9H12O3S/c1-7(10)3-4-8(11)5-6-9(12)13-2/h5-6H,3-4H2,1-2H3/b6-5- |
| InChIKey |
LNPWNVUWJRRBPD-WAYWQWQTSA-N |
| Molecular Weight |
200.252 g/mol |
| SMILES |
C(\C=C/C(=O)CCC(=O)C)(=O)SC |
| SPLASH |
splash10-0udi-0900000000-fa2ebe00738762261719 |
| Source of Spectrum |
QA-43-181-3 |
| Synonyms |
(Z)-4,7-Dioxo-oct-2-enethioic acid S-methyl ester
O-methyl (2Z)-4,7-dioxo-2-octenethioate |
| Wiley ID |
862243 |
