| SpectraBase Spectrum ID |
7hvMOtUuhmF |
| Name |
1,2-Cyclohexanedicarboxylic acid, furfuryl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.256274254 u |
| Formula |
C21H36O5 |
| InChI |
InChI=1S/C21H36O5/c1-2-3-4-5-6-9-14-25-20(22)18-12-7-8-13-19(18)21(23)26-16-17-11-10-15-24-17/h17-19H,2-16H2,1H3 |
| InChIKey |
QYTUZABTSGPWQH-UHFFFAOYSA-N |
| Molecular Weight |
368.514 g/mol |
| SMILES |
CCCCCCCCOC(C1C(C(=O)OCC2OCCC2)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921834 |
