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3-[(3S)-1-ethyl-3-piperidinyl]benzonitrile
SpectraBase Compound ID 2ldDDZgIDlv
InChI InChI=1S/C14H18N2/c1-2-16-8-4-7-14(11-16)13-6-3-5-12(9-13)10-15/h3,5-6,9,14H,2,4,7-8,11H2,1H3/t14-/m1/s1
InChIKey OPZKYIOCNPKDBN-CQSZACIVSA-N
Mol Weight 214.31 g/mol
Molecular Formula C14H18N2
Exact Mass 214.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jIORBvHrpA
Name 3-[(3S)-1-ethyl-3-piperidinyl]benzonitrile
Alternate Name(s) 3-[(3S)-1-ethyl-3-piperidyl]benzonitrile 3-[(3S)-1-ethylpiperidin-3-yl]benzenecarbonitrile 3-[(3S)-1-ethylpiperidin-3-yl]benzonitrile
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Formula C14H18N2
InChI InChI=1S/C14H18N2/c1-2-16-8-4-7-14(11-16)13-6-3-5-12(9-13)10-15/h3,5-6,9,14H,2,4,7-8,11H2,1H3/t14-/m1/s1
InChIKey OPZKYIOCNPKDBN-CQSZACIVSA-N
Molecular Weight 214.312 g/mol
SMILES C(#N)c1cc([C@]2(CN(CC)CCC2)[H])ccc1
SPLASH splash10-0002-7920000000-b3e64cb5c48a765f6bf9
Source of Spectrum E1-37-2748-28
Wiley ID 1575186