| SpectraBase Spectrum ID |
34ZVQU9PKuK |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.198759378 u |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-13(2)12-23-19(21)17-7-5-6-8-18(17)20(22)24-16-10-14(3)9-15(4)11-16/h9-11,13,17-18H,5-8,12H2,1-4H3 |
| InChIKey |
FCSROAPLQNWDIW-UHFFFAOYSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
C1(=CC(=CC(=C1)C)C)OC(C1CCCCC1C(OCC(C)C)=O)=O |
