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1-(4-Methylphenyl)-4-oxo-3H-isoquinoline-3-carboxylic acid methyl ester
SpectraBase Compound ID CmxCgksBejx
InChI InChI=1S/C18H15NO3/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)17(20)16(19-15)18(21)22-2/h3-10,16H,1-2H3
InChIKey WLRKQCMGCHKYAY-UHFFFAOYSA-N
Mol Weight 293.32 g/mol
Molecular Formula C18H15NO3
Exact Mass 293.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ULmlK8qcPy
Name 1-(4-Methylphenyl)-4-oxo-3H-isoquinoline-3-carboxylic acid methyl ester
Alternate Name(s) 4-keto-1-(p-tolyl)-3H-isoquinoline-3-carboxylic acid methyl ester Methyl 1-(4-methylphenyl)-4-oxidanylidene-3H-isoquinoline-3-carboxylate Methyl 1-(4-methylphenyl)-4-oxo-3H-isoquinoline-3-carboxylate Methyl 4-oxo-1-(p-tolyl)-3H-isoquinoline-3-carboxylate
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Formula C18H15NO3
InChI InChI=1S/C18H15NO3/c1-11-7-9-12(10-8-11)15-13-5-3-4-6-14(13)17(20)16(19-15)18(21)22-2/h3-10,16H,1-2H3
InChIKey WLRKQCMGCHKYAY-UHFFFAOYSA-N
Molecular Weight 293.322 g/mol
SMILES C1(N=C(c2c(C1=O)cccc2)c1ccc(cc1)C)C(=O)OC
SPLASH splash10-01ox-0090000000-3c0a313fbf921833c6ae
Source of Spectrum U1-2002-1699-7
Wiley ID 1522449