| SpectraBase Spectrum ID |
LQbCFLcRjnD |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-5-6-7-8-9-10-13-16-25-21(23)19-14-11-12-15-20(19)22(24)26-18(4)17(2)3/h17-20H,5-16H2,1-4H3 |
| InChIKey |
UXOIHZWCTKMMIN-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
CCCCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882128 |
