| SpectraBase Spectrum ID |
AheajFzq49E |
| Name |
1,2-Cyclohexanedicarboxylic acid, isopropyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24(26)22-18-15-16-19-23(22)25(27)29-21(2)3/h21-23H,4-20H2,1-3H3 |
| InChIKey |
DMQGRFYPPLJCBL-UHFFFAOYSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
CCCCCCCCCCCCCCOC(C1C(C(=O)OC(C)C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910431 |
