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3-[(3S)-1-allyl-3-piperidyl]benzonitrile
SpectraBase Compound ID Jiav6I1HcMO
InChI InChI=1S/C15H18N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h2-3,5-6,10,15H,1,4,7-9,12H2/t15-/m1/s1
InChIKey LWSMSVQQKULODQ-OAHLLOKOSA-N
Mol Weight 226.32 g/mol
Molecular Formula C15H18N2
Exact Mass 226.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTnOVeFJLD4
Name 3-[(3S)-1-allyl-3-piperidyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2
InChI InChI=1S/C15H18N2/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16/h2-3,5-6,10,15H,1,4,7-9,12H2/t15-/m1/s1
InChIKey LWSMSVQQKULODQ-OAHLLOKOSA-N
Molecular Weight 226.323 g/mol
SMILES C(c1cc(ccc1)[C@]1(CN(CCC1)CC=C)[H])#N
SPLASH splash10-003r-9250000000-a11c841ab41f4c8f1337
Source of Spectrum E1-37-2749-30
Synonyms 3-[(3S)-1-prop-2-enyl-3-piperidinyl]benzonitrile 3-[(3S)-1-prop-2-enylpiperidin-3-yl]benzenecarbonitrile 3-[(3S)-1-prop-2-enylpiperidin-3-yl]benzonitrile
Wiley ID 1575184