| SpectraBase Spectrum ID |
DWOaLsR3sFh |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-methoxyethyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.334524576 u |
| Formula |
C25H46O5 |
| InChI |
InChI=1S/C25H46O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-29-24(26)22-17-14-15-18-23(22)25(27)30-21-20-28-2/h22-23H,3-21H2,1-2H3 |
| InChIKey |
KBUFKXWHGUVOAA-UHFFFAOYSA-N |
| Molecular Weight |
426.638 g/mol |
| SMILES |
CCCCCCCCCCCCCCOC(C1CCCCC1C(=O)OCCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90283 |
