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5-Cyano-1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenylpyridine

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5-Cyano-1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenylpyridine
SpectraBase Compound ID LPxbQv3jS2D
InChI InChI=1S/C13H12N2O/c1-9-12(8-14)11(7-13(16)15-9)10-5-3-2-4-6-10/h2-6,11H,7H2,1H3,(H,15,16)
InChIKey VOWWGPXZMYRPNS-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C13H12N2O
Exact Mass 212.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 79auH82M0HQ
Name 5-Cyano-1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenylpyridine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.094963013 u
Formula C13H12N2O
InChI InChI=1S/C13H12N2O/c1-9-12(8-14)11(7-13(16)15-9)10-5-3-2-4-6-10/h2-6,11H,7H2,1H3,(H,15,16)
InChIKey VOWWGPXZMYRPNS-UHFFFAOYSA-N
Molecular Weight 212.252 g/mol
SMILES C1(=C(NC(CC1C1=CC=CC=C1)=O)C)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961239