| SpectraBase Spectrum ID |
Dor9DI2CTk6 |
| Name |
1,2-Cyclohexanedicarboxylic acid, decyl 3-methylbut-2-yl 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/c1-5-6-7-8-9-10-11-14-17-26-22(24)20-15-12-13-16-21(20)23(25)27-19(4)18(2)3/h18-21H,5-17H2,1-4H3 |
| InChIKey |
ZTZBBTWFEIKNJE-UHFFFAOYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
CCCCCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913672 |
