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3-[(3S)-1-(3-phenylpropyl)-3-piperidinyl]benzonitrile
SpectraBase Compound ID 7vhvNOBHfFF
InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1
InChIKey JSFVESKREDQPEC-OAQYLSRUSA-N
Mol Weight 304.44 g/mol
Molecular Formula C21H24N2
Exact Mass 304.193949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VqyHPCTGE1
Name 3-[(3S)-1-(3-phenylpropyl)-3-piperidinyl]benzonitrile
Alternate Name(s) 3-[(3S)-1-(3-phenylpropyl)-3-piperidyl]benzonitrile 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzenecarbonitrile 3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzonitrile
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Formula C21H24N2
InChI InChI=1S/C21H24N2/c22-16-19-9-4-11-20(15-19)21-12-6-14-23(17-21)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,11,15,21H,5-6,10,12-14,17H2/t21-/m1/s1
InChIKey JSFVESKREDQPEC-OAQYLSRUSA-N
Molecular Weight 304.437 g/mol
SMILES C(#N)c1cc([C@]2(CN(CCCc3ccccc3)CCC2)[H])ccc1
SPLASH splash10-0002-0910000000-3d8b96a771446aa6fe0c
Source of Spectrum E1-37-2749-36
Wiley ID 1575178