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syn-3-(1-Benzyl-4-oxo-3-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
SpectraBase Compound ID DXxb1S8SPpb
InChI InChI=1S/C25H22N2O/c26-17-9-16-23-24(20-12-5-2-6-13-20)25(28)21-14-7-8-15-22(21)27(23)18-19-10-3-1-4-11-19/h1-8,10-15,23-24H,9,16,18H2/t23-,24+/m1/s1
InChIKey LHXIQCQLSCDVLB-RPWUZVMVSA-N
Mol Weight 366.46 g/mol
Molecular Formula C25H22N2O
Exact Mass 366.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuVl7Ua0IeD
Name syn-3-(1-Benzyl-4-oxo-3-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
Appearance Yellow foam
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Exact Mass 366.173213335 u
Formula C25H22N2O
InChI InChI=1S/C25H22N2O/c26-17-9-16-23-24(20-12-5-2-6-13-20)25(28)21-14-7-8-15-22(21)27(23)18-19-10-3-1-4-11-19/h1-8,10-15,23-24H,9,16,18H2/t23-,24+/m1/s1
InChIKey LHXIQCQLSCDVLB-RPWUZVMVSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405852
Molecular Weight 366.464 g/mol
Quality 87
Reported Formula C25H22N2O
SMILES C1([C@]2([C@](N(C3=C(C2=O)C=CC=C3)CC2=CC=CC=C2)(CCC#N)[H])[H])=CC=CC=C1
SPLASH splash10-0296-6109000000-270b04720fe2c63cbc15
Source of Spectrum QE-21-SM17-12 (DOI: 10.1002/chem.201405852)
Thin-Layer Chromatography 0.66 (CH2Cl2/EtOAc, 10:1)
Wiley ID 1907582