SpectraBase Spectrum ID |
BVx3V8kmYYY |
Name |
1-Phenyl-1-[2-pyridyl]-N-pentane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.151749616 u |
Formula |
C16H19N |
InChI |
InChI=1S/C16H19N/c1-2-3-11-15(14-9-5-4-6-10-14)16-12-7-8-13-17-16/h4-10,12-13,15H,2-3,11H2,1H3 |
InChIKey |
ONMANTGELZYJGH-UHFFFAOYSA-N |
Molecular Weight |
225.335 g/mol |
SMILES |
CCCCC(C1=CC=CC=N1)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974766 |