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syn-3-(1-Benzyl-3-methyl-4-oxo-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
SpectraBase Compound ID IRr7tE7fTQd
InChI InChI=1S/C20H20N2O/c1-15-18(12-7-13-21)22(14-16-8-3-2-4-9-16)19-11-6-5-10-17(19)20(15)23/h2-6,8-11,15,18H,7,12,14H2,1H3/t15-,18+/m0/s1
InChIKey JNTNSJVRJRFPEI-MAUKXSAKSA-N
Mol Weight 304.39 g/mol
Molecular Formula C20H20N2O
Exact Mass 304.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bv94RDTJCC
Name syn-3-(1-Benzyl-3-methyl-4-oxo-1,2,3,4-tetrahydroquinolin-2-yl)propanenitrile
Appearance Yellow oil
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Formula C20H20N2O
InChI InChI=1S/C20H20N2O/c1-15-18(12-7-13-21)22(14-16-8-3-2-4-9-16)19-11-6-5-10-17(19)20(15)23/h2-6,8-11,15,18H,7,12,14H2,1H3/t15-,18+/m0/s1
InChIKey JNTNSJVRJRFPEI-MAUKXSAKSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405852
Molecular Weight 304.393 g/mol
Quality 65
Reported Formula C20H20N2O
SMILES C[C@]1([C@](N(C2=C(C1=O)C=CC=C2)CC1=CC=CC=C1)(CCC#N)[H])[H]
SPLASH splash10-0f6x-9014000000-1574f4d39c0319ad51af
Source of Spectrum QE-21-SM17-10 (DOI: 10.1002/chem.201405852)
Thin-Layer Chromatography 0.62 (CH2Cl2/EtOAc, 10:1)
Wiley ID 1907580