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Methyl-[(1-phenylethynyl-3-phenyl)prop-2-ynyl]ether

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

Methyl-[(1-phenylethynyl-3-phenyl)prop-2-ynyl]ether
SpectraBase Compound ID 3HsKmP8v62c
InChI InChI=1S/C18H14O/c1-19-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11,18H,1H3
InChIKey IHEZLEMSBCSOGF-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C18H14O
Exact Mass 246.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HwZTzSd0Rj
Name Methyl-[(1-phenylethynyl-3-phenyl)prop-2-ynyl]ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.104465070 u
Formula C18H14O
InChI InChI=1S/C18H14O/c1-19-18(14-12-16-8-4-2-5-9-16)15-13-17-10-6-3-7-11-17/h2-11,18H,1H3
InChIKey IHEZLEMSBCSOGF-UHFFFAOYSA-N
Molecular Weight 246.309 g/mol
SMILES C(#CC(C#CC=1C=CC=CC1)OC)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889802