| SpectraBase Spectrum ID |
DagJeM0bAyH |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.339609957 u |
| Formula |
C26H46O4 |
| InChI |
InChI=1S/C26H46O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,22-24H,4-13,16-21H2,1-3H3 |
| InChIKey |
CADIHWBXVDTATO-UHFFFAOYSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC(CCCC)CC)=O)C(=O)OCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969374 |
