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3-(4-Methoxyphenyl)-6-methoxyisocoumarin

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

3-(4-Methoxyphenyl)-6-methoxyisocoumarin
SpectraBase Compound ID Fcq3AyUIMY5
InChI InChI=1S/C17H14O4/c1-19-13-5-3-11(4-6-13)16-10-12-9-14(20-2)7-8-15(12)17(18)21-16/h3-10H,1-2H3
InChIKey ZPGBPYLAVBLDTC-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 8Rmoidyd7PB
Name 3-(4-Methoxyphenyl)-6-methoxyisocoumarin
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/c1-19-13-5-3-11(4-6-13)16-10-12-9-14(20-2)7-8-15(12)17(18)21-16/h3-10H,1-2H3
InChIKey ZPGBPYLAVBLDTC-UHFFFAOYSA-N
SMILES C1(OC(C=2C=CC(=CC2)OC)=CC2=C1C=CC(OC)=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889266