| SpectraBase Spectrum ID |
Ghsk3hEC2CU |
| Name |
1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-2-3-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-16-10-5-4-6-11-16/h16-18H,2-15H2,1H3 |
| InChIKey |
WDTGTPBLLDQGHP-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C1(CCCCC1)COC(C1CCCCC1C(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973815 |
