SpectraBase Spectrum ID |
1JIqvdkQTuJ |
Name |
1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl octyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
402.277009700 u |
Formula |
C25H38O4 |
InChI |
InChI=1S/C25H38O4/c1-4-5-6-7-8-11-18-28-24(26)22-12-9-10-13-23(22)25(27)29-21-16-14-20(15-17-21)19(2)3/h14-17,19,22-23H,4-13,18H2,1-3H3 |
InChIKey |
YQKUSWBUJLAWJU-UHFFFAOYSA-N |
Molecular Weight |
402.575 g/mol |
SMILES |
C1(=CC=C(C=C1)C(C)C)OC(C1CCCCC1C(OCCCCCCCC)=O)=O |