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3-METHYL-2-(4-TOLUOYL)-1,2-DIHYDROISOQUINOLINE-1-CARBONITRILE
SpectraBase Compound ID 3lbe6c0ZdAq
InChI InChI=1S/C19H16N2O/c1-13-7-9-15(10-8-13)19(22)21-14(2)11-16-5-3-4-6-17(16)18(21)12-20/h3-11,18H,1-2H3
InChIKey ZKDSVMUHWGNGQE-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C19H16N2O
Exact Mass 288.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzpZkaiRKcm
Name 3-Methyl-2-(4'-toluoyl)-1,2-dihydroisoquinoline-1-carbonitrile
Alternate Name(s) 3-Methyl-2-[(p-methylbenzoyl0-1,2-dihydroisoisoquinoline-1-carbonitriled 3-methyl-2-[(4-methylphenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile 3-methyl-2-(4-methylbenzoyl)-1H-isoquinoline-1-carbonitrile 3-methyl-2-(4-methylphenyl)carbonyl-1H-isoquinoline-1-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C19H16N2O
InChI InChI=1S/C19H16N2O/c1-13-7-9-15(10-8-13)19(22)21-14(2)11-16-5-3-4-6-17(16)18(21)12-20/h3-11,18H,1-2H3
InChIKey ZKDSVMUHWGNGQE-UHFFFAOYSA-N
Molecular Weight 288.350 g/mol
SMILES C=1(N(C(c2c(C1)cccc2)C#N)C(c1ccc(cc1)C)=O)C
SPLASH splash10-014i-0900000000-24113e0469656ade7955
Source of Spectrum AH-139-680-5c
Wiley ID 1695726