| SpectraBase Spectrum ID |
19rko5QPYfL |
| Name |
1,2-Cyclohexanedicarboxylic acid, isohexyl isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-12(2)8-7-11-20-16(18)14-9-5-6-10-15(14)17(19)21-13(3)4/h12-15H,5-11H2,1-4H3 |
| InChIKey |
ONUIWTQGPQZMLW-UHFFFAOYSA-N |
| SMILES |
C(C1CCCCC1C(OCCCC(C)C)=O)(=O)OC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893227 |
