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3-[(3S)-1-(cyclopropylmethyl)-3-piperidinyl]benzonitrile

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-[(3S)-1-(cyclopropylmethyl)-3-piperidinyl]benzonitrile
SpectraBase Compound ID AEusm2SEP85
InChI InChI=1S/C16H20N2/c17-10-14-3-1-4-15(9-14)16-5-2-8-18(12-16)11-13-6-7-13/h1,3-4,9,13,16H,2,5-8,11-12H2/t16-/m1/s1
InChIKey RWFSSGIYTQCWMB-MRXNPFEDSA-N
Mol Weight 240.35 g/mol
Molecular Formula C16H20N2
Exact Mass 240.162649 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2kzpeAl87nz
Name 3-[(3S)-1-(Cyclopropylmethyl)-3-piperidinyl]benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.162648652 u
Formula C16H20N2
InChI InChI=1S/C16H20N2/c17-10-14-3-1-4-15(9-14)16-5-2-8-18(12-16)11-13-6-7-13/h1,3-4,9,13,16H,2,5-8,11-12H2/t16-/m1/s1
InChIKey RWFSSGIYTQCWMB-MRXNPFEDSA-N
Molecular Weight 240.350 g/mol
SMILES C1N(CCC[C@]1(C1=CC(C#N)=CC=C1)[H])CC1CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880068