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1-[1-(Phenylethynyl)cyclohexyl]piperidine

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

1-[1-(Phenylethynyl)cyclohexyl]piperidine
SpectraBase Compound ID I5Xj5QEr8UT
InChI InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-15-19(13-6-2-7-14-19)20-16-8-3-9-17-20/h1,4-5,10-11H,2-3,6-9,13-14,16-17H2
InChIKey KQCNZPHZQGRNGL-UHFFFAOYSA-N
Mol Weight 267.42 g/mol
Molecular Formula C19H25N
Exact Mass 267.1987 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5W4TrYJQizM
Name 1-[1-(Phenylethynyl)cyclohexyl]piperidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.198699809 u
Formula C19H25N
InChI InChI=1S/C19H25N/c1-4-10-18(11-5-1)12-15-19(13-6-2-7-14-19)20-16-8-3-9-17-20/h1,4-5,10-11H,2-3,6-9,13-14,16-17H2
InChIKey KQCNZPHZQGRNGL-UHFFFAOYSA-N
Molecular Weight 267.416 g/mol
SMILES C1N(CCCC1)C1(CCCCC1)C#CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959157