| SpectraBase Spectrum ID |
EVMmfEBeJm0 |
| Name |
1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-2-3-4-5-6-7-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-20-14-9-8-10-15-20/h20-22H,2-19H2,1H3 |
| InChIKey |
UXPSBBXEVRMWFI-UHFFFAOYSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCCC)=O)=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972667 |
