| SpectraBase Spectrum ID |
EbQptw3bRWQ |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2,5-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)23-15-12-13-16-24(23)27(29)31-25-20-21(2)17-18-22(25)3/h17-18,20,23-24H,4-16,19H2,1-3H3 |
| InChIKey |
JLANXFOTXGAIKU-UHFFFAOYSA-N |
| Molecular Weight |
430.629 g/mol |
| SMILES |
C1=C(C(=CC=C1C)C)OC(C1CCCCC1C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843101 |
