SpectraBase Spectrum ID |
LTtcgghv1Z2 |
Name |
N-(2-Aminophenyl)-1-benzylprolinamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
295.168462307 u |
Formula |
C18H21N3O |
InChI |
InChI=1S/C18H21N3O/c19-15-9-4-5-10-16(15)20-18(22)17-11-6-12-21(17)13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13,19H2,(H,20,22) |
InChIKey |
OJOFYARMKVXDJH-UHFFFAOYSA-N |
SMILES |
C1=CC=C(C=C1)CN1C(C(=O)NC2=CC=CC=C2N)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960704 |