| SpectraBase Spectrum ID |
HrZjUJBLNIb |
| Name |
1,2-Cyclohexanedicarboxylic acid, octyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.277009700 u |
| Formula |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-2-3-4-5-6-12-19-28-24(26)22-17-10-11-18-23(22)25(27)29-20-13-16-21-14-8-7-9-15-21/h7-9,14-15,22-23H,2-6,10-13,16-20H2,1H3 |
| InChIKey |
HDJDOQGIINBKND-UHFFFAOYSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
C(COC(C1CCCCC1C(OCCCCCCCC)=O)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891722 |
