| SpectraBase Spectrum ID |
7S3s2Zqzuy5 |
| Name |
1,2-Cyclohexanedicarboxylic acid, dodecyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.277009700 u |
| Formula |
C21H38O4 |
| InChI |
InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-2/h18-19H,3-17H2,1-2H3 |
| InChIKey |
LHCLDAKIWGPUMD-UHFFFAOYSA-N |
| Molecular Weight |
354.531 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953016 |
