| SpectraBase Spectrum ID |
K9cxi0tb3p1 |
| Name |
Glutaric acid, butyl docosyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.449160408 u |
| Formula |
C31H60O4 |
| InChI |
InChI=1S/C31H60O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-35-31(33)27-25-26-30(32)34-28-6-4-2/h3-29H2,1-2H3 |
| InChIKey |
BFLWHKCJLQZSFL-UHFFFAOYSA-N |
| Molecular Weight |
496.817 g/mol |
| SMILES |
CCCCOC(CCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832093 |
