| SpectraBase Spectrum ID |
HMkVOuKfLiH |
| Name |
1,2-Cyclohexanedicarboxylic acid, decyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-12-15-23-19(21)17-14-11-10-13-16(17)18(20)22-2/h16-17H,3-15H2,1-2H3 |
| InChIKey |
KFELCXUDOADCIU-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951834 |
