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3-[(3S)-1-(cyclopropylmethyl)-3-piperidinyl]benzonitrile
SpectraBase Compound ID AEusm2SEP85
InChI InChI=1S/C16H20N2/c17-10-14-3-1-4-15(9-14)16-5-2-8-18(12-16)11-13-6-7-13/h1,3-4,9,13,16H,2,5-8,11-12H2/t16-/m1/s1
InChIKey RWFSSGIYTQCWMB-MRXNPFEDSA-N
Mol Weight 240.35 g/mol
Molecular Formula C16H20N2
Exact Mass 240.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16kOqUC7KC
Name 3-[(3S)-1-(cyclopropylmethyl)-3-piperidinyl]benzonitrile
Alternate Name(s) 3-[(3S)-1-(cyclopropylmethyl)-3-piperidyl]benzonitrile 3-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]benzenecarbonitrile 3-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]benzonitrile
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Formula C16H20N2
InChI InChI=1S/C16H20N2/c17-10-14-3-1-4-15(9-14)16-5-2-8-18(12-16)11-13-6-7-13/h1,3-4,9,13,16H,2,5-8,11-12H2/t16-/m1/s1
InChIKey RWFSSGIYTQCWMB-MRXNPFEDSA-N
Molecular Weight 240.350 g/mol
SMILES C1N(CCC[C@]1(c1cc(C#N)ccc1)[H])CC1CC1
SPLASH splash10-052b-9600000000-1db78500186d7ebec7b4
Source of Spectrum E1-37-2749-34
Wiley ID 1575180