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3-[(3S)-1-allyl-3-piperidyl]benzonitrile

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

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ZeC3RZBzX
Name 3-[(3S)-1-Allyl-3-piperidyl]benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.146998588 u
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(C=1C=C(C=CC1)[C@]1(CN(CCC1)CC=C)[H])#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837585