| SpectraBase Spectrum ID |
HNqs0oI36MQ |
| Name |
4-Propylcyclohexyl 4-(4-pentylcyclohexyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.318480590 u |
| Formula |
C27H42O2 |
| InChI |
InChI=1S/C27H42O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h15-18,21-23,26H,3-14,19-20H2,1-2H3 |
| InChIKey |
PEXDPLSTNBSZFP-UHFFFAOYSA-N |
| Molecular Weight |
398.631 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C1CCC(CC1)CCCCC)(=O)OC1CCC(CC1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957602 |
