| SpectraBase Spectrum ID |
E4eCMB2Xipz |
| Name |
1,2-Cyclohexanedicarboxylic acid, 3-pentyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-4-7-8-9-10-11-12-13-16-19-27-23(25)21-17-14-15-18-22(21)24(26)28-20(5-2)6-3/h20-22H,4-19H2,1-3H3 |
| InChIKey |
VSQJPVVCTXSIJJ-UHFFFAOYSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
CCCCCCCCCCCOC(C1C(C(=O)OC(CC)CC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945894 |
