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1-(4,7-Dimethoxy-2H-1,3-benzodioxol-5-yl)ethanone

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1-(4,7-Dimethoxy-2H-1,3-benzodioxol-5-yl)ethanone
SpectraBase Compound ID 9Lh0MWZGcrf
InChI InChI=1S/C11H12O5/c1-6(12)7-4-8(13-2)10-11(9(7)14-3)16-5-15-10/h4H,5H2,1-3H3
InChIKey QHZFSMULJWYBIX-UHFFFAOYSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F868Sb6562C
Name 1-(4,7-Dimethoxy-2H-1,3-benzodioxol-5-yl)ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.068473481 u
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-6(12)7-4-8(13-2)10-11(9(7)14-3)16-5-15-10/h4H,5H2,1-3H3
InChIKey QHZFSMULJWYBIX-UHFFFAOYSA-N
Molecular Weight 224.212 g/mol
SMILES C12=C(C(=CC(=C2OC)C(=O)C)OC)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827094