| SpectraBase Spectrum ID |
8fuYJvIvBPE |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-5-7-12-18(6-2)16-26-22(24)20-14-9-8-13-19(20)21(23)25-15-10-11-17(3)4/h8-9,17-20H,5-7,10-16H2,1-4H3 |
| InChIKey |
FVCVEJYVDPWSDB-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879003 |
