| SpectraBase Spectrum ID |
1icRsmQqeIh |
| Name |
1,2-Cyclohexanedicarboxylic acid, decyl 3-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-4-7-8-9-10-11-12-15-18-26-22(24)20-16-13-14-17-21(20)23(25)27-19(5-2)6-3/h19-21H,4-18H2,1-3H3 |
| InChIKey |
BACAGPLDOFOSBD-UHFFFAOYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
CCCCCCCCCCOC(C1C(C(=O)OC(CC)CC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94278 |
