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3-[(3S)-1-isopropyl-3-piperidyl]benzonitrile
SpectraBase Compound ID 6Zs5GfRr1KE
InChI InChI=1S/C15H20N2/c1-12(2)17-8-4-7-15(11-17)14-6-3-5-13(9-14)10-16/h3,5-6,9,12,15H,4,7-8,11H2,1-2H3/t15-/m1/s1
InChIKey MCWNRJVMXBUUPG-OAHLLOKOSA-N
Mol Weight 228.34 g/mol
Molecular Formula C15H20N2
Exact Mass 228.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4dtznrnwwB
Name 3-[(3S)-1-isopropyl-3-piperidyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N2
InChI InChI=1S/C15H20N2/c1-12(2)17-8-4-7-15(11-17)14-6-3-5-13(9-14)10-16/h3,5-6,9,12,15H,4,7-8,11H2,1-2H3/t15-/m1/s1
InChIKey MCWNRJVMXBUUPG-OAHLLOKOSA-N
Molecular Weight 228.339 g/mol
SMILES C1N(CCC[C@]1(c1cc(C#N)ccc1)[H])C(C)C
SPLASH splash10-03di-0190000000-d8f25f3e0c9fd4b656fb
Source of Spectrum E1-37-2748-29
Synonyms 3-[(3S)-1-propan-2-yl-3-piperidinyl]benzonitrile 3-[(3S)-1-propan-2-ylpiperidin-3-yl]benzenecarbonitrile 3-[(3S)-1-propan-2-ylpiperidin-3-yl]benzonitrile
Wiley ID 1575185