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2-[4-[2-(4-Methoxyphenyl)ethynyl]phenyl]acetic acid methyl ester

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

2-[4-[2-(4-Methoxyphenyl)ethynyl]phenyl]acetic acid methyl ester
SpectraBase Compound ID 3DBXlyFdGAf
InChI InChI=1S/C18H16O3/c1-20-17-11-9-15(10-12-17)4-3-14-5-7-16(8-6-14)13-18(19)21-2/h5-12H,13H2,1-2H3
InChIKey VXANKNJGIURCCK-UHFFFAOYSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GESI2uCDW5e
Name 2-[4-[2-(4-Methoxyphenyl)ethynyl]phenyl]acetic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.109944372 u
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-20-17-11-9-15(10-12-17)4-3-14-5-7-16(8-6-14)13-18(19)21-2/h5-12H,13H2,1-2H3
InChIKey VXANKNJGIURCCK-UHFFFAOYSA-N
SMILES C(#CC=1C=CC(=CC1)OC)C=1C=CC(CC(=O)OC)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838339