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2-Methyl-4-(4-acetylphenyl)-3-p-tolylisoxazolino[4,5-c]quinolines
SpectraBase Compound ID ICT5BERLmvL
InChI InChI=1S/C26H22N2O2/c1-16-8-10-20(11-9-16)25-23-24(19-14-12-18(13-15-19)17(2)29)27-22-7-5-4-6-21(22)26(23)30-28(25)3/h4-15,25H,1-3H3
InChIKey PIHJFGPSJOKCJX-UHFFFAOYSA-N
Mol Weight 394.47 g/mol
Molecular Formula C26H22N2O2
Exact Mass 394.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkigwjjPo28
Name 2-Methyl-4-(4-acetylphenyl)-3-p-tolylisoxazolino[4,5-c]quinolines
Alternate Name(s) 1-[4-[2-methyl-3-(4-methylphenyl)-3H-isoxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone 1-[4-[2-methyl-3-(4-methylphenyl)-3H-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C26H22N2O2
InChI InChI=1S/C26H22N2O2/c1-16-8-10-20(11-9-16)25-23-24(19-14-12-18(13-15-19)17(2)29)27-22-7-5-4-6-21(22)26(23)30-28(25)3/h4-15,25H,1-3H3
InChIKey PIHJFGPSJOKCJX-UHFFFAOYSA-N
Molecular Weight 394.474 g/mol
SMILES c12c(ON(C2c2ccc(cc2)C)C)c2ccccc2nc1-c1ccc(cc1)C(=O)C
SPLASH splash10-0006-0009000000-b9c47e6746aa6af34e7e
Source of Spectrum U1-2009-1029-4a
Wiley ID 1662612