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3-Acetyl-1-(4-methylphenyl)-3H-isoquinolin-4-one
SpectraBase Compound ID aqumHmvG1d
InChI InChI=1S/C18H15NO2/c1-11-7-9-13(10-8-11)17-14-5-3-4-6-15(14)18(21)16(19-17)12(2)20/h3-10,16H,1-2H3
InChIKey HUASCQURXHJMPD-UHFFFAOYSA-N
Mol Weight 277.32 g/mol
Molecular Formula C18H15NO2
Exact Mass 277.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oPmIt1tHDb
Name 3-Acetyl-1-(4-methylphenyl)-3H-isoquinolin-4-one
Alternate Name(s) 3-Acetyl-1-(p-tolyl)-3H-isoquinolin-4-one 3-Ethanoyl-1-(4-methylphenyl)-3H-isoquinolin-4-one
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Formula C18H15NO2
InChI InChI=1S/C18H15NO2/c1-11-7-9-13(10-8-11)17-14-5-3-4-6-15(14)18(21)16(19-17)12(2)20/h3-10,16H,1-2H3
InChIKey HUASCQURXHJMPD-UHFFFAOYSA-N
Molecular Weight 277.323 g/mol
SMILES C1(N=C(c2c(C1=O)cccc2)c1ccc(cc1)C)C(=O)C
SPLASH splash10-004i-0390000000-dbd7bbb1ba2e2a0e6856
Source of Spectrum U1-2002-1700-7
Wiley ID 1522468