| SpectraBase Spectrum ID |
A9KLjWNMQgE |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl heptyl 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/c1-4-7-9-10-13-17-26-22(24)20-15-11-12-16-21(20)23(25)27-18-19(6-3)14-8-5-2/h11-12,19-21H,4-10,13-18H2,1-3H3 |
| InChIKey |
KGDODGAESIERSU-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954128 |
