| SpectraBase Spectrum ID |
E6eUN2jMdBo |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylhexyl hexyl 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/c1-4-7-9-12-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-18(6-3)13-8-5-2/h10-11,18-20H,4-9,12-17H2,1-3H3 |
| InChIKey |
DHMXYULFAQOKQS-UHFFFAOYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948616 |
