| SpectraBase Spectrum ID |
21fI3ZsThdI |
| Name |
2-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, methyl ester, (E)- |
| Alternate Name(s) |
Methyl (2E)-3-isopropyl-6-oxo-2-heptenoate
Methyl 3-isopropyl-6-oxo-2e-heptenoate |
| CAS Registry Number |
41654-23-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H18O3 |
| InChI |
InChI=1S/C11H18O3/c1-8(2)10(6-5-9(3)12)7-11(13)14-4/h7-8H,5-6H2,1-4H3/b10-7+ |
| InChIKey |
XUHLHNHLTDLDCL-JXMROGBWSA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
C(\C=C/(CCC(=O)C)C(C)C)(=O)OC |
| SPLASH |
splash10-006x-9500000000-e4058cd3882a03847034 |
| Source of Spectrum |
EP-6647-0-0 |
| Wiley ID |
1195462 |
