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1-Allyl-2-(2-phenylethynyl)benzene

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

1-Allyl-2-(2-phenylethynyl)benzene
SpectraBase Compound ID FJRDVsdC7eB
InChI InChI=1S/C17H14/c1-2-8-16-11-6-7-12-17(16)14-13-15-9-4-3-5-10-15/h2-7,9-12H,1,8H2
InChIKey YCAUADXRQNCRGL-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C17H14
Exact Mass 218.10955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8LxcRqQqvZC
Name 1-Allyl-2-(2-phenylethynyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.109550451 u
Formula C17H14
InChI InChI=1S/C17H14/c1-2-8-16-11-6-7-12-17(16)14-13-15-9-4-3-5-10-15/h2-7,9-12H,1,8H2
InChIKey YCAUADXRQNCRGL-UHFFFAOYSA-N
Molecular Weight 218.299 g/mol
SMILES C=1C=C(C(C#CC2=CC=CC=C2)=CC1)CC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868297