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4-[2-(3,4,5-Trimethoxyphenyl)ethynyl]phenol

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

4-[2-(3,4,5-Trimethoxyphenyl)ethynyl]phenol
SpectraBase Compound ID INEwo94aR6o
InChI InChI=1S/C17H16O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h6-11,18H,1-3H3
InChIKey BGNZHKNFURMTEH-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JteLVPFG9X1
Name 4-[2-(3,4,5-Trimethoxyphenyl)ethynyl]phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.104858991 u
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h6-11,18H,1-3H3
InChIKey BGNZHKNFURMTEH-UHFFFAOYSA-N
SMILES C=1(C(=CC(C#CC=2C=CC(=CC2)O)=CC1OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941768