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5-Keto-3-phenyl-2-(3-pyridyl)hexanenitrile

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

5-Keto-3-phenyl-2-(3-pyridyl)hexanenitrile
SpectraBase Compound ID F1Pu5VcVe6u
InChI InChI=1S/C17H16N2O/c1-13(20)10-16(14-6-3-2-4-7-14)17(11-18)15-8-5-9-19-12-15/h2-9,12,16-17H,10H2,1H3
InChIKey HKRUWTKURUCHCF-UHFFFAOYSA-N
Mol Weight 264.33 g/mol
Molecular Formula C17H16N2O
Exact Mass 264.126263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kno9qyfgCLq
Name 5-Keto-3-phenyl-2-(3-pyridyl)hexanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.126263142 u
Formula C17H16N2O
InChI InChI=1S/C17H16N2O/c1-13(20)10-16(14-6-3-2-4-7-14)17(11-18)15-8-5-9-19-12-15/h2-9,12,16-17H,10H2,1H3
InChIKey HKRUWTKURUCHCF-UHFFFAOYSA-N
Molecular Weight 264.328 g/mol
SMILES C(C(C#N)C=1C=NC=CC1)(CC(=O)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915357