| SpectraBase Spectrum ID |
GBZ13ViRhWO |
| Name |
1,2-Cyclohexanedicarboxylic acid, cyclohexyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.214409442 u |
| Formula |
C18H30O4 |
| InChI |
InChI=1S/C18H30O4/c1-13(2)12-21-17(19)15-10-6-7-11-16(15)18(20)22-14-8-4-3-5-9-14/h13-16H,3-12H2,1-2H3 |
| InChIKey |
IDGQDODXHJFNKL-UHFFFAOYSA-N |
| SMILES |
C(C1CCCCC1C(OCC(C)C)=O)(=O)OC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858717 |
