SpectraBase Spectrum ID |
ACVemgUKVrO |
Name |
Phenyl[2-(pyridin-2-yl)phenyl]methanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.099714042 u |
Formula |
C18H13NO |
InChI |
InChI=1S/C18H13NO/c20-18(14-8-2-1-3-9-14)16-11-5-4-10-15(16)17-12-6-7-13-19-17/h1-13H |
InChIKey |
BKNBQWVSPFVQGK-UHFFFAOYSA-N |
Molecular Weight |
259.308 g/mol |
SMILES |
C1(C(=O)C2=CC=CC=C2)=C(C2=NC=CC=C2)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912843 |