SpectraBase Compound ID | tbWOem7KZD |
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InChI | InChI=1S/C19H15NO/c1-14-9-11-15(12-10-14)16-6-2-3-7-17(16)19(21)18-8-4-5-13-20-18/h2-13H,1H3 |
InChIKey | CFLRDFKSKCUFES-UHFFFAOYSA-N |
Mol Weight | 273.33 g/mol |
Molecular Formula | C19H15NO |
Exact Mass | 273.115364 g/mol |
SpectraBase Spectrum ID | C5uRcwFjQRP |
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Name | 2-(p-Tolyl)phenyl 2-pyridyl ketone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 273.115364106 u |
Formula | C19H15NO |
InChI | InChI=1S/C19H15NO/c1-14-9-11-15(12-10-14)16-6-2-3-7-17(16)19(21)18-8-4-5-13-20-18/h2-13H,1H3 |
InChIKey | CFLRDFKSKCUFES-UHFFFAOYSA-N |
SMILES | C1=CC=C(N=C1)C(=O)C1=C(C=CC=C1)C1=CC=C(C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808493 |