| SpectraBase Spectrum ID |
8RmE4wxb4vQ |
| Name |
1,2-Cyclohexanedicarboxylic acid, hexyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-4-7-9-12-17-25-21(23)19-15-10-11-16-20(19)22(24)26-18(13-6-3)14-8-5-2/h18-20H,4-17H2,1-3H3 |
| InChIKey |
AMWZNEHZIVHZKH-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCC)=O)=O)(CCCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936824 |
