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3-(3,4-Dimethoxyphenyl)-8-methoxyisocoumarin

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

3-(3,4-Dimethoxyphenyl)-8-methoxyisocoumarin
SpectraBase Compound ID LWFaBuHYwgg
InChI InChI=1S/C18H16O5/c1-20-13-8-7-11(9-16(13)22-3)15-10-12-5-4-6-14(21-2)17(12)18(19)23-15/h4-10H,1-3H3
InChIKey GHTACAVDDFVAHW-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DODJudY1yux
Name 3-(3,4-Dimethoxyphenyl)-8-methoxyisocoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.099773610 u
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-20-13-8-7-11(9-16(13)22-3)15-10-12-5-4-6-14(21-2)17(12)18(19)23-15/h4-10H,1-3H3
InChIKey GHTACAVDDFVAHW-UHFFFAOYSA-N
SMILES C1(C2=C(C=CC=C2OC)C=C(O1)C=1C=C(OC)C(=CC1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949441