| SpectraBase Spectrum ID |
6u0lg9DgggF |
| Name |
Glutaric acid, monoamide, N-butyl-N-phenyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
501.418194632 u |
| Formula |
C32H55NO3 |
| InChI |
InChI=1S/C32H55NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-29-36-32(35)27-23-26-31(34)33(28-6-4-2)30-24-20-19-21-25-30/h19-21,24-25H,3-18,22-23,26-29H2,1-2H3 |
| InChIKey |
UEXISVILRNNHMI-UHFFFAOYSA-N |
| Molecular Weight |
501.796 g/mol |
| SMILES |
CCCCN(C(CCCC(OCCCCCCCCCCCCCCCCC)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879843 |
