| SpectraBase Spectrum ID |
HtDUlkUlSof |
| Name |
1,2-Cyclohexanedicarboxylic acid, heptadecyl 2-methylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.433510344 u |
| Formula |
C32H58O4 |
| InChI |
InChI=1S/C32H58O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-35-31(33)28-23-18-19-24-29(28)32(34)36-30-25-20-17-22-27(30)2/h27-30H,3-26H2,1-2H3 |
| InChIKey |
IGDXQEFYAZCORF-UHFFFAOYSA-N |
| Molecular Weight |
506.812 g/mol |
| SMILES |
C1(C(CCCC1)C)OC(C1CCCCC1C(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94905 |
