| SpectraBase Spectrum ID |
FIT04HWec7m |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl undecyl 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/c1-4-5-6-7-8-9-10-11-14-19-30-26(28)24-15-12-13-16-25(24)27(29)31-23-18-17-21(2)22(3)20-23/h17-18,20,24-25H,4-16,19H2,1-3H3 |
| InChIKey |
VQYSTPMTJLUTEP-UHFFFAOYSA-N |
| Molecular Weight |
430.629 g/mol |
| SMILES |
C1CCCC(C1C(OCCCCCCCCCCC)=O)C(=O)OC1=CC(=C(C=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836029 |
