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3-(1-Benzyl-4-oxo-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
SpectraBase Compound ID I4GHZyzdl3c
InChI InChI=1S/C19H18N2O/c20-12-6-9-16-13-19(22)17-10-4-5-11-18(17)21(16)14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,13-14H2
InChIKey QGIHXLIQYFUGKW-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 KWFKaesnGLC
Name 3-(1-Benzyl-4-oxo-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/c20-12-6-9-16-13-19(22)17-10-4-5-11-18(17)21(16)14-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,13-14H2
InChIKey QGIHXLIQYFUGKW-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405852
Quality 104
Reported Formula C19H18N2O
SMILES C1(=CC=CC=C1)CN1C(CC(C2=C1C=CC=C2)=O)CCC#N
SPLASH splash10-0006-9070000000-30122d8789099f1c1b2a
Source of Spectrum QE-21-SM14-2 (DOI: 10.1002/chem.201405852)
Thin-Layer Chromatography 0.40 (CH2Cl2/EtOAc, 10:1)
Wiley ID 1907601