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.alpha.-[3-Pyridyl]-4-chloroacetophenone

View entire compound with spectra: 1 NMR, and 1 FTIR

.alpha.-[3-Pyridyl]-4-chloroacetophenone
SpectraBase Compound ID FcejJW660VZ
InChI InChI=1S/C13H10ClNO/c14-12-5-3-11(4-6-12)13(16)8-10-2-1-7-15-9-10/h1-7,9H,8H2
InChIKey XPSQHYPYPLUYAC-UHFFFAOYSA-N
Mol Weight 231.68 g/mol
Molecular Formula C13H10ClNO
Exact Mass 231.045092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EcpZjjoagFS
Name .alpha.-[3-Pyridyl]-4-chloroacetophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.045091645 u
Formula C13H10ClNO
InChI InChI=1S/C13H10ClNO/c14-12-5-3-11(4-6-12)13(16)8-10-2-1-7-15-9-10/h1-7,9H,8H2
InChIKey XPSQHYPYPLUYAC-UHFFFAOYSA-N
Molecular Weight 231.682 g/mol
SMILES C1(=CC=C(C=C1)Cl)C(CC1=CC=CN=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933321