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3-[(3S)-1-prop-2-ynyl-3-piperidinyl]benzonitrile
SpectraBase Compound ID AQO25KiqXRa
InChI InChI=1S/C15H16N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h1,3,5-6,10,15H,4,7-9,12H2/t15-/m1/s1
InChIKey WIXVSIWFYYDDMJ-OAHLLOKOSA-N
Mol Weight 224.31 g/mol
Molecular Formula C15H16N2
Exact Mass 224.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2cwFnFmMls
Name 3-[(3S)-1-prop-2-ynyl-3-piperidinyl]benzonitrile
Alternate Name(s) 3-[(3S)-1-prop-2-ynyl-3-piperidyl]benzonitrile 3-[(3S)-1-prop-2-ynylpiperidin-3-yl]benzenecarbonitrile 3-[(3S)-1-prop-2-ynylpiperidin-3-yl]benzonitrile 3-[(3S)-1-propargyl-3-piperidyl]benzonitrile
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Formula C15H16N2
InChI InChI=1S/C15H16N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h1,3,5-6,10,15H,4,7-9,12H2/t15-/m1/s1
InChIKey WIXVSIWFYYDDMJ-OAHLLOKOSA-N
Molecular Weight 224.307 g/mol
SMILES C(#N)c1cc([C@]2(CN(CC#C)CCC2)[H])ccc1
SPLASH splash10-00fu-4690000000-f33a7bbcb5a7bd84df82
Source of Spectrum E1-37-2749-31
Wiley ID 1575183