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2-[3-[(3S)-1-propyl-3-piperidinyl]phenyl]acetonitrile
SpectraBase Compound ID Aoun8zU3uRb
InChI InChI=1S/C16H22N2/c1-2-10-18-11-4-7-16(13-18)15-6-3-5-14(12-15)8-9-17/h3,5-6,12,16H,2,4,7-8,10-11,13H2,1H3/t16-/m1/s1
InChIKey RURTXDUFVIOALE-MRXNPFEDSA-N
Mol Weight 242.37 g/mol
Molecular Formula C16H22N2
Exact Mass 242.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xEKVLCewMj
Name 2-[3-[(3S)-1-propyl-3-piperidinyl]phenyl]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2
InChI InChI=1S/C16H22N2/c1-2-10-18-11-4-7-16(13-18)15-6-3-5-14(12-15)8-9-17/h3,5-6,12,16H,2,4,7-8,10-11,13H2,1H3/t16-/m1/s1
InChIKey RURTXDUFVIOALE-MRXNPFEDSA-N
Molecular Weight 242.366 g/mol
SMILES C(#N)Cc1cc([C@]2(CN(CCC)CCC2)[H])ccc1
SPLASH splash10-03di-0190000000-a0324b8b314bbf7030a3
Source of Spectrum E1-37-2747-18
Synonyms 2-[3-[(3S)-1-propyl-3-piperidyl]phenyl]acetonitrile 2-[3-[(3S)-1-propylpiperidin-3-yl]phenyl]acetonitrile 2-[3-[(3S)-1-propylpiperidin-3-yl]phenyl]ethanenitrile
Wiley ID 1575196