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1-Methyl-6-(phenylethynyl)quinolin-4-one
SpectraBase Compound ID GTv6HXHkD06
InChI InChI=1S/C18H13NO/c1-19-12-11-18(20)16-13-15(9-10-17(16)19)8-7-14-5-3-2-4-6-14/h2-6,9-13H,1H3
InChIKey WDHLDVFTFBORNF-UHFFFAOYSA-N
Mol Weight 259.31 g/mol
Molecular Formula C18H13NO
Exact Mass 259.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cnib7kSEstR
Name 1-Methyl-6-(phenylethynyl)quinolin-4-one
Appearance Yellowish solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.099714042 u
Formula C18H13NO
InChI InChI=1S/C18H13NO/c1-19-12-11-18(20)16-13-15(9-10-17(16)19)8-7-14-5-3-2-4-6-14/h2-6,9-13H,1H3
InChIKey WDHLDVFTFBORNF-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405852
Molecular Weight 259.308 g/mol
Quality 74
Reported Formula C18H13NO
SMILES C1=2C(C=CN(C2C=CC(=C1)C#CC1=CC=CC=C1)C)=O
SPLASH splash10-0a4i-0090000000-1b7ad46c01bbc336f3d8
Source of Spectrum QE-21-SM9-S19 (DOI: 10.1002/chem.201405852)
Thin-Layer Chromatography 0.65 (CH2Cl2/MeOH, 1:1)
Wiley ID 1907621