| SpectraBase Spectrum ID |
KdmSBRmr5AR |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 2-ethylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-4-7-8-9-10-11-12-15-18-27-23(25)21-16-13-14-17-22(21)24(26)28-19-20(5-2)6-3/h13-14,20-22H,4-12,15-19H2,1-3H3 |
| InChIKey |
VCYVWAOHWVAIMS-UHFFFAOYSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CC)CC)=O)C(=O)OCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901246 |
