| SpectraBase Spectrum ID |
C6dR0qpo6qJ |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.323959893 u |
| Formula |
C28H44O4 |
| InChI |
InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-15-20-31-27(29)25-16-13-14-17-26(25)28(30)32-24-19-18-22(2)23(3)21-24/h18-19,21,25-26H,4-17,20H2,1-3H3 |
| InChIKey |
RXEYSTSLIALEHH-UHFFFAOYSA-N |
| Molecular Weight |
444.656 g/mol |
| SMILES |
C1CC(C(CC1)C(=O)OC1=CC(=C(C=C1)C)C)C(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836428 |
