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2-(3',5'-Dimethylphenyl)-4-[1"-nitropropyl]-quinoline
SpectraBase Compound ID JpRJiFhvYpG
InChI InChI=1S/C20H20N2O2/c1-4-20(22(23)24)17-12-19(15-10-13(2)9-14(3)11-15)21-18-8-6-5-7-16(17)18/h5-12,20H,4H2,1-3H3
InChIKey AUWSMOGDFNNYET-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C20H20N2O2
Exact Mass 320.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3m7L3hKlbIa
Name 2-(3',5'-Dimethylphenyl)-4-[1"-nitropropyl]-quinoline
Alternate Name(s) 2-(3,5-dimethylphenyl)-4-(1-nitropropyl)quinoline
Comments Less than 3 mono-isotopic peaks
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Formula C20H20N2O2
InChI InChI=1S/C20H20N2O2/c1-4-20(22(23)24)17-12-19(15-10-13(2)9-14(3)11-15)21-18-8-6-5-7-16(17)18/h5-12,20H,4H2,1-3H3
InChIKey AUWSMOGDFNNYET-UHFFFAOYSA-N
Molecular Weight 320.392 g/mol
SMILES C(N(=O)=O)(c1cc(-c2cc(C)cc(c2)C)nc2c1cccc2)CC
SPLASH splash10-004i-0091000000-fab96357effe1c9877f6
Source of Spectrum D1-2007-1036-3
Wiley ID 1614462