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3-[(3S)-1-[3-(dimethylamino)propyl]-3-piperidinyl]benzonitrile
SpectraBase Compound ID IIIkgGkchkC
InChI InChI=1S/C17H25N3/c1-19(2)9-5-11-20-10-4-8-17(14-20)16-7-3-6-15(12-16)13-18/h3,6-7,12,17H,4-5,8-11,14H2,1-2H3/t17-/m1/s1
InChIKey AKBLTSXPRUVMOS-QGZVFWFLSA-N
Mol Weight 271.41 g/mol
Molecular Formula C17H25N3
Exact Mass 271.204848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 637r0iPPmVY
Name 3-[(3S)-1-[3-(dimethylamino)propyl]-3-piperidinyl]benzonitrile
Alternate Name(s) 3-[(3S)-1-[3-(dimethylamino)propyl]-3-piperidyl]benzonitrile 3-[(3S)-1-[3-(dimethylamino)propyl]piperidin-3-yl]benzenecarbonitrile 3-[(3S)-1-[3-(dimethylamino)propyl]piperidin-3-yl]benzonitrile
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Formula C17H25N3
InChI InChI=1S/C17H25N3/c1-19(2)9-5-11-20-10-4-8-17(14-20)16-7-3-6-15(12-16)13-18/h3,6-7,12,17H,4-5,8-11,14H2,1-2H3/t17-/m1/s1
InChIKey AKBLTSXPRUVMOS-QGZVFWFLSA-N
Molecular Weight 271.408 g/mol
SMILES C(#N)c1cc([C@]2(CN(CCCN(C)C)CCC2)[H])ccc1
SPLASH splash10-01rj-6690000000-6c399d70b6bd65885554
Source of Spectrum E1-37-2749-38
Wiley ID 1575176