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3-[(3S)-1-phenethyl-3-piperidyl]benzonitrile
SpectraBase Compound ID EKkg7JOh4x0
InChI InChI=1S/C20H22N2/c21-15-18-8-4-9-19(14-18)20-10-5-12-22(16-20)13-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,16H2/t20-/m1/s1
InChIKey BARYHSADJVEXIX-HXUWFJFHSA-N
Mol Weight 290.41 g/mol
Molecular Formula C20H22N2
Exact Mass 290.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hrehz0G6HdX
Name 3-[(3S)-1-phenethyl-3-piperidyl]benzonitrile
Alternate Name(s) 3-[(3S)-1-(2-phenylethyl)-3-piperidinyl]benzonitrile 3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzonitrile 3-[(3S)-1-(2-phenylethyl)-3-piperidyl]benzonitrile
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Formula C20H22N2
InChI InChI=1S/C20H22N2/c21-15-18-8-4-9-19(14-18)20-10-5-12-22(16-20)13-11-17-6-2-1-3-7-17/h1-4,6-9,14,20H,5,10-13,16H2/t20-/m1/s1
InChIKey BARYHSADJVEXIX-HXUWFJFHSA-N
Molecular Weight 290.410 g/mol
SMILES C(c1cc(ccc1)[C@]1(CN(CCC1)CCc1ccccc1)[H])#N
SPLASH splash10-0002-0910000000-65f37d003787e25cafd2
Source of Spectrum E1-37-2749-35
Wiley ID 1575179