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1-(3-Phenyl-1-(o-tolyl)prop-2-yn-1-yl)piperidine

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

1-(3-Phenyl-1-(o-tolyl)prop-2-yn-1-yl)piperidine
SpectraBase Compound ID 6yVNnVjdBca
InChI InChI=1S/C21H23N/c1-18-10-6-7-13-20(18)21(22-16-8-3-9-17-22)15-14-19-11-4-2-5-12-19/h2,4-7,10-13,21H,3,8-9,16-17H2,1H3
InChIKey YBDOTTWOOLTMDR-UHFFFAOYSA-N
Mol Weight 289.42 g/mol
Molecular Formula C21H23N
Exact Mass 289.18305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AXmyKHBcORU
Name 1-(3-Phenyl-1-(o-tolyl)prop-2-yn-1-yl)piperidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.183049745 u
Formula C21H23N
InChI InChI=1S/C21H23N/c1-18-10-6-7-13-20(18)21(22-16-8-3-9-17-22)15-14-19-11-4-2-5-12-19/h2,4-7,10-13,21H,3,8-9,16-17H2,1H3
InChIKey YBDOTTWOOLTMDR-UHFFFAOYSA-N
Molecular Weight 289.422 g/mol
SMILES C=1C(=C(C(C#CC2=CC=CC=C2)N2CCCCC2)C=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876103