| SpectraBase Spectrum ID |
5oN6K7mmkeq |
| Name |
Glutaric acid, monoamide, N-(1-phenylethyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
487.402544568 u |
| Formula |
C31H53NO3 |
| InChI |
InChI=1S/C31H53NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-35-31(34)26-22-25-30(33)32-28(2)29-23-19-18-20-24-29/h18-20,23-24,28H,3-17,21-22,25-27H2,1-2H3,(H,32,33) |
| InChIKey |
ZWYPOKINJVMGFW-UHFFFAOYSA-N |
| Molecular Weight |
487.769 g/mol |
| SMILES |
CC(NC(CCCC(OCCCCCCCCCCCCCCCCCC)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907482 |
