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4-Methoxy-6-[2-(4-methoxyphenyl)ethynyl]-2H-1,3-benzodioxole

View entire compound with spectra: 1 FTIR

4-Methoxy-6-[2-(4-methoxyphenyl)ethynyl]-2H-1,3-benzodioxole
SpectraBase Compound ID 4tRKTKfgkIA
InChI InChI=1S/C17H14O4/c1-18-14-7-5-12(6-8-14)3-4-13-9-15(19-2)17-16(10-13)20-11-21-17/h5-10H,11H2,1-2H3
InChIKey QEMWTWVXBCLTHT-UHFFFAOYSA-N
Mol Weight 282.3 g/mol
Molecular Formula C17H14O4
Exact Mass 282.089209 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6O2WE95QZhV
Name 4-Methoxy-6-[2-(4-methoxyphenyl)ethynyl]-2H-1,3-benzodioxole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.089208927 u
Formula C17H14O4
InChI InChI=1S/C17H14O4/c1-18-14-7-5-12(6-8-14)3-4-13-9-15(19-2)17-16(10-13)20-11-21-17/h5-10H,11H2,1-2H3
InChIKey QEMWTWVXBCLTHT-UHFFFAOYSA-N
SMILES C1(=C2C(=CC(=C1)C#CC1=CC=C(OC)C=C1)OCO2)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956194