| SpectraBase Spectrum ID |
3cVV7IRhrxa |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-4-5-6-7-8-9-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-13-14-19(2)3/h10-11,19-21H,4-9,12-18H2,1-3H3 |
| InChIKey |
DKICQLQCSBGJMM-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCCCC(C)C)=O)C(=O)OCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812549 |
