| SpectraBase Spectrum ID |
HVnk7SXTFcW |
| Name |
1,2-Cyclohexanedicarboxylic acid, hexadecyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.449160408 u |
| Formula |
C32H60O4 |
| InChI |
InChI=1S/C32H60O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-22-27-35-31(33)29-25-20-21-26-30(29)32(34)36-28(23-6-3)24-8-5-2/h28-30H,4-27H2,1-3H3 |
| InChIKey |
BNTGPKZCEXLQFE-UHFFFAOYSA-N |
| Molecular Weight |
508.828 g/mol |
| SMILES |
C(CC(OC(C1CCCCC1C(OCCCCCCCCCCCCCCCC)=O)=O)CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96681 |
