SpectraBase Spectrum ID |
2bUr4b2w13q |
Name |
N-(3-Phenylpropyl)pyridine-3-carboxamide, me derivative |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
254.141913207 u |
Formula |
C16H18N2O |
InChI |
InChI=1S/C16H18N2O/c1-18(16(19)15-10-5-11-17-13-15)12-6-9-14-7-3-2-4-8-14/h2-5,7-8,10-11,13H,6,9,12H2,1H3 |
InChIKey |
KPCGJMULICTNHN-UHFFFAOYSA-N |
Molecular Weight |
254.333 g/mol |
SMILES |
C(N(C(=O)C1=CN=CC=C1)C)CCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889147 |