| SpectraBase Spectrum ID |
F5GnHJ0Gbgh |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 2-methylpent-3-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-5-7-8-9-12-15-24-20(22)17-13-10-11-14-18(17)21(23)25-19(6-2)16(3)4/h10-11,16-19H,5-9,12-15H2,1-4H3 |
| InChIKey |
DLQKXNNBJYGGBC-UHFFFAOYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCCC |
