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Phenyl 3-pyridyl ketone
SpectraBase Compound ID 72H01Fw1MsJ
InChI InChI=1S/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H
InChIKey RYMBAPVTUHZCNF-UHFFFAOYSA-N
Mol Weight 183.21 g/mol
Molecular Formula C12H9NO
Exact Mass 183.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWeOxisssdz
Name Phenyl(pyridin-3-yl)methanone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 183.068413913 u
Formula C12H9NO
InChI InChI=1S/C12H9NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-9H
InChIKey RYMBAPVTUHZCNF-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004840
Molecular Weight 183.210 g/mol
Quality 241
SMILES C=1C=NC=C(C(=O)C2=CC=CC=C2)C1
SPLASH splash10-053r-3900000000-c5caf421bfecca82a9d3
Source of Spectrum QE-27-SM35-2t (DOI: 10.1002/chem.202004840)
Thin-Layer Chromatography 0.25 (hexane/EtOAc, 7:3)
Wiley ID 1902318