| SpectraBase Spectrum ID |
K32wilGmJ3o |
| Name |
1,2-Cyclohexanedicarboxylic acid, decyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.355260022 u |
| Formula |
C26H48O4 |
| InChI |
InChI=1S/C26H48O4/c1-4-7-9-10-11-12-13-16-21-29-25(27)23-19-14-15-20-24(23)26(28)30-22(17-6-3)18-8-5-2/h22-24H,4-21H2,1-3H3 |
| InChIKey |
DHCGSTFAXYGPKW-UHFFFAOYSA-N |
| Molecular Weight |
424.666 g/mol |
| SMILES |
C(OC(C1CCCCC1C(OCCCCCCCCCC)=O)=O)(CCCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980107 |
