| SpectraBase Spectrum ID |
6wojgTp73gn |
| Name |
1,2-Cyclohexanedicarboxylic acid, ethyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-5-14(11(3)4)20-16(18)13-10-8-7-9-12(13)15(17)19-6-2/h11-14H,5-10H2,1-4H3 |
| InChIKey |
JVKQKYQRWMWNTO-UHFFFAOYSA-N |
| SMILES |
C(C1CCCCC1C(OCC)=O)(=O)OC(C(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935754 |
