| SpectraBase Spectrum ID |
FV5k3OakMAG |
| Name |
1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.303224447 u |
| Formula |
C23H42O5 |
| InChI |
InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-14-17-27-22(24)20-15-12-13-16-21(20)23(25)28-19-18-26-2/h20-21H,3-19H2,1-2H3 |
| InChIKey |
ZXAGWMGWJOZOBU-UHFFFAOYSA-N |
| Molecular Weight |
398.584 g/mol |
| SMILES |
CCCCCCCCCCCCOC(C1C(C(=O)OCCOC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934719 |
