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3,4-Dimethoxy-3',4'-methylenedioxybenzhydrol

View entire compound with spectra: 1 NMR, and 1 FTIR

3,4-Dimethoxy-3',4'-methylenedioxybenzhydrol
SpectraBase Compound ID BcxuxuV07fa
InChI InChI=1S/C16H16O5/c1-18-12-5-3-10(7-14(12)19-2)16(17)11-4-6-13-15(8-11)21-9-20-13/h3-8,16-17H,9H2,1-2H3
InChIKey YYZQQIRLQCERDV-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HHJDa80mlyn
Name 3,4-Dimethoxy-3',4'-methylenedioxybenzhydrol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.099773610 u
Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-18-12-5-3-10(7-14(12)19-2)16(17)11-4-6-13-15(8-11)21-9-20-13/h3-8,16-17H,9H2,1-2H3
InChIKey YYZQQIRLQCERDV-UHFFFAOYSA-N
SMILES C12=C(C=C(C=C2)C(O)C2=CC=C(C(=C2)OC)OC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950603