| SpectraBase Spectrum ID |
97WvMBtoyi5 |
| Name |
1,2-Cyclohexanedicarboxylic acid, isohexyl 2-methylcyclohexyl 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/c1-15(2)9-8-14-24-20(22)17-11-5-6-12-18(17)21(23)25-19-13-7-4-10-16(19)3/h15-19H,4-14H2,1-3H3 |
| InChIKey |
SWXNIJYBJZYDKA-UHFFFAOYSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
CC(C)CCCOC(C1C(C(=O)OC2C(CCCC2)C)CCCC1)=O |
