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4-bromo-alpha-resorcylic acid, monohydrate
SpectraBase Compound ID Ee56RQF12qv
InChI InChI=1S/C7H5BrO4.H2O/c8-6-4(9)1-3(7(11)12)2-5(6)10;/h1-2,9-10H,(H,11,12);1H2
InChIKey SYJXNQKEJYNMJD-UHFFFAOYSA-N
Mol Weight 251.032 g/mol
Molecular Formula C7H7BrO5
Exact Mass 249.947686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ES3XXRnBflQ
Name 4-BROMO-alpha-RESORCYLIC ACID, MONOHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5BrO4 H2O
InChI InChI=1S/C7H5BrO4.H2O/c8-6-4(9)1-3(7(11)12)2-5(6)10;/h1-2,9-10H,(H,11,12);1H2
InChIKey SYJXNQKEJYNMJD-UHFFFAOYSA-N
Melting Point 271-273C
Molecular Weight 251.04
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms A-RESORCYLIC ACID, 4-BROMO-, MONOHYDRATE BENZOIC ACID, 4-BROMO-3,5-DIHYDROXY-, MONOHYDRATE