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3-(1-Methyl-4-oxo-6-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
SpectraBase Compound ID 5AokhuAoU8V
InChI InChI=1S/C19H18N2O/c1-21-16(8-5-11-20)13-19(22)17-12-15(9-10-18(17)21)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,13H2,1H3
InChIKey CNMIEQARVNUPIJ-UHFFFAOYSA-N
Mol Weight 290.37 g/mol
Molecular Formula C19H18N2O
Exact Mass 290.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Gq0x4b6ZpH
Name 3-(1-Methyl-4-oxo-6-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
Appearance Yellow oil
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Exact Mass 290.141913207 u
Formula C19H18N2O
InChI InChI=1S/C19H18N2O/c1-21-16(8-5-11-20)13-19(22)17-12-15(9-10-18(17)21)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,13H2,1H3
InChIKey CNMIEQARVNUPIJ-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405852
Quality 63
Reported Formula C19H18N2O
SMILES CN1C(CC(C2=C1C=CC(=C2)C1=CC=CC=C1)=O)CCC#N
SPLASH splash10-000l-0390000000-4095c876c760bcc8be62
Source of Spectrum QE-21-SM15-5 (DOI: 10.1002/chem.201405852)
Thin-Layer Chromatography 0.47 (CH2Cl2/EtOAc, 10:1)
Wiley ID 1907611