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2-(4-Phenylbut-3-yn-2-yloxymethyl)pyridine

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

2-(4-Phenylbut-3-yn-2-yloxymethyl)pyridine
SpectraBase Compound ID 78H22T1o7zI
InChI InChI=1S/C16H15NO/c1-14(10-11-15-7-3-2-4-8-15)18-13-16-9-5-6-12-17-16/h2-9,12,14H,13H2,1H3
InChIKey PCRIVMZWSUGOTN-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C16H15NO
Exact Mass 237.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DddRQeeogZF
Name 2-(4-Phenylbut-3-yn-2-yloxymethyl)pyridine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.115364106 u
Formula C16H15NO
InChI InChI=1S/C16H15NO/c1-14(10-11-15-7-3-2-4-8-15)18-13-16-9-5-6-12-17-16/h2-9,12,14H,13H2,1H3
InChIKey PCRIVMZWSUGOTN-UHFFFAOYSA-N
Molecular Weight 237.302 g/mol
SMILES C=1(C=CC=CN1)COC(C#CC=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84657