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3-Bromo-4,5-dihydroxybenzoic acid methyl ester
SpectraBase Compound ID E21CVf4GPpd
InChI InChI=1S/C8H7BrO4/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,10-11H,1H3
InChIKey TZTKLMUXAITOOF-UHFFFAOYSA-N
Mol Weight 247.04 g/mol
Molecular Formula C8H7BrO4
Exact Mass 245.952772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kHD9lM6Ge
Name 3-Bromo-4,5-dihydroxybenzoic acid methyl ester
Appearance White amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrO4
InChI InChI=1S/C8H7BrO4/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,10-11H,1H3
InChIKey TZTKLMUXAITOOF-UHFFFAOYSA-N
Instrument Name Micromass Autopec-Ultima ETOF
Ionization Type EI
Literature Reference DOI 10.1021/np020528c
Molecular Weight 247.044 g/mol
Reported Formula C8H7(79)BrO4
SMILES Oc1c(cc(cc1O)C(OC)=O)Br
SPLASH splash10-000t-0190000000-e4733b680b0f94ce53b3
Source of Spectrum G4-66-458-6
Wiley ID 1881317