| SpectraBase Spectrum ID |
LGD5IC0izUT |
| Name |
1,2-Cyclohexanedicarboxylic acid, dodecyl 2-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.339609957 u |
| Formula |
C29H46O4 |
| InChI |
InChI=1S/C29H46O4/c1-4-5-6-7-8-9-10-11-12-17-22-32-28(30)25-19-13-14-20-26(25)29(31)33-27-21-16-15-18-24(27)23(2)3/h15-16,18,21,23,25-26H,4-14,17,19-20,22H2,1-3H3 |
| InChIKey |
YFYCMVQWJDPEIK-UHFFFAOYSA-N |
| Molecular Weight |
458.683 g/mol |
| SMILES |
C1CCCC(C1C(OCCCCCCCCCCCC)=O)C(=O)OC1=C(C=CC=C1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852818 |
