SpectraBase Spectrum ID |
BrsaMvd8sFu |
Name |
N-(3,3-Diphenylpropyl)pyridine-3-carboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
316.157563271 u |
Formula |
C21H20N2O |
InChI |
InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24) |
InChIKey |
GDHXZIQAOUBZCC-UHFFFAOYSA-N |
Molecular Weight |
316.404 g/mol |
SMILES |
C(CCNC(=O)C1=CC=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949789 |