| SpectraBase Spectrum ID |
CWdWSSRcX2G |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl 2-methylpent-3-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-6-18(15(4)5)24-20(22)17-12-8-7-11-16(17)19(21)23-13-9-10-14(2)3/h7-8,14-18H,6,9-13H2,1-5H3 |
| InChIKey |
HUSDHEKLRDEXEN-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCC(C)C |
