| SpectraBase Spectrum ID |
31a6RZAqWtv |
| Name |
Glutaric acid, docosyl isobutyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-34-30(32)25-24-26-31(33)35-28-29(2)3/h29H,4-28H2,1-3H3 |
| InChIKey |
JYRMZAJUDLSRPX-UHFFFAOYSA-N |
| Molecular Weight |
496.817 g/mol |
| SMILES |
CC(C)COC(CCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849517 |
