| SpectraBase Spectrum ID |
JRTeLnAwSWu |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.402210215 u |
| Formula |
C30H54O4 |
| InChI |
InChI=1S/C30H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-24-33-29(31)26-21-16-17-22-27(26)30(32)34-28-23-18-15-20-25(28)2/h25-28H,3-24H2,1-2H3 |
| InChIKey |
SSPGLHMSECSKSB-UHFFFAOYSA-N |
| Molecular Weight |
478.758 g/mol |
| SMILES |
C1(C(CCCC1)C)OC(C1CCCCC1C(OCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95215 |
