| SpectraBase Spectrum ID |
G4ZR8NNGt5Y |
| Name |
1,2-Cyclohexanedicarboxylic acid, methyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-27-23(25)21-18-15-14-17-20(21)22(24)26-2/h20-21H,3-19H2,1-2H3 |
| InChIKey |
NSBKZTVLCSYVNQ-UHFFFAOYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCCCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927908 |
