| SpectraBase Spectrum ID |
1KMVlUQM1pQ |
| Name |
1,2-Cyclohexanedicarboxylic acid, ethyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-4-17-13(15)11-7-5-6-8-12(11)14(16)18-9-10(2)3/h10-12H,4-9H2,1-3H3 |
| InChIKey |
QJUFFMQQPBZLBA-UHFFFAOYSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
CC(COC(C1CCCCC1C(OCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960081 |
