| SpectraBase Spectrum ID |
HZ2qPkmpivg |
| Name |
1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.308309828 u |
| Formula |
C27H42O4 |
| InChI |
InChI=1S/C27H42O4/c1-3-4-5-6-7-8-9-10-11-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-23-17-15-16-22(2)21-23/h15-17,21,24-25H,3-14,18-20H2,1-2H3 |
| InChIKey |
PTDNNQMIUOANCB-UHFFFAOYSA-N |
| Molecular Weight |
430.629 g/mol |
| SMILES |
C1(=CC(=CC=C1)C)OC(C1CCCCC1C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850718 |
