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2-Bromo-3-ethoxymethyl-5,6-dimethoxy-1,4-benzoquinone

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

2-Bromo-3-ethoxymethyl-5,6-dimethoxy-1,4-benzoquinone
SpectraBase Compound ID 9F83YEEqcUp
InChI InChI=1S/C11H13BrO5/c1-4-17-5-6-7(12)9(14)11(16-3)10(15-2)8(6)13/h4-5H2,1-3H3
InChIKey LKVIBQKXYRELTD-UHFFFAOYSA-N
Mol Weight 305.12 g/mol
Molecular Formula C11H13BrO5
Exact Mass 303.994637 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LnnXdf39fR3
Name 2-Bromo-3-ethoxymethyl-5,6-dimethoxy-1,4-benzoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.994636514 u
Formula C11H13BrO5
InChI InChI=1S/C11H13BrO5/c1-4-17-5-6-7(12)9(14)11(16-3)10(15-2)8(6)13/h4-5H2,1-3H3
InChIKey LKVIBQKXYRELTD-UHFFFAOYSA-N
Molecular Weight 305.124 g/mol
SMILES C1(C(=C(C(C(=C1OC)OC)=O)COCC)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912641