| SpectraBase Spectrum ID |
D1fYJvwysFA |
| Name |
Glutaric acid, monoamide, N-(1-phenylethyl)-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.339944310 u |
| Formula |
C27H45NO3 |
| InChI |
InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-31-27(30)22-18-21-26(29)28-24(2)25-19-15-14-16-20-25/h14-16,19-20,24H,3-13,17-18,21-23H2,1-2H3,(H,28,29) |
| InChIKey |
BFLKRBWWPOAYMV-UHFFFAOYSA-N |
| Molecular Weight |
431.661 g/mol |
| SMILES |
CC(NC(CCCC(OCCCCCCCCCCCCCC)=O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806757 |
