| SpectraBase Spectrum ID |
4ANABZ6NpXZ |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-2-3-4-5-11-17-26-22(24)20-14-9-10-15-21(20)23(25)27-18-16-19-12-7-6-8-13-19/h19-21H,2-18H2,1H3 |
| InChIKey |
WVUPCHNXKOTUKJ-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCC)=O)=O)CC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97197 |
