| SpectraBase Spectrum ID |
ICfTwfEghKP |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-ethoxyethyl octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.256274254 u |
| Formula |
C20H36O5 |
| InChI |
InChI=1S/C20H36O5/c1-3-5-6-7-8-11-14-24-19(21)17-12-9-10-13-18(17)20(22)25-16-15-23-4-2/h17-18H,3-16H2,1-2H3 |
| InChIKey |
ZBOOSQLTKNKYFY-UHFFFAOYSA-N |
| Molecular Weight |
356.503 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCC)=O)=O)COCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880136 |
