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1-Benzyl-6-hydroxy-4-methyl-2(1H)-oxo-3-pyridinecarbonitrile

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

1-Benzyl-6-hydroxy-4-methyl-2(1H)-oxo-3-pyridinecarbonitrile
SpectraBase Compound ID JmJPEbxsFWH
InChI InChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,17H,9H2,1H3
InChIKey YSQOCAKXILHFQX-UHFFFAOYSA-N
Mol Weight 240.26 g/mol
Molecular Formula C14H12N2O2
Exact Mass 240.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID mwLM0nM7js
Name 1-Benzyl-6-hydroxy-4-methyl-2(1H)-oxo-3-pyridinecarbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.089877632 u
Formula C14H12N2O2
InChI InChI=1S/C14H12N2O2/c1-10-7-13(17)16(14(18)12(10)8-15)9-11-5-3-2-4-6-11/h2-7,17H,9H2,1H3
InChIKey YSQOCAKXILHFQX-UHFFFAOYSA-N
Molecular Weight 240.262 g/mol
SMILES C1=CC=C(C=C1)CN1C(C(C#N)=C(C=C1O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923012