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3-(3-bromophenyl)-3-hydroxy-2,2-dimethylbutanoic acid
SpectraBase Compound ID EgMDUJjhFYm
InChI InChI=1S/C12H15BrO3/c1-11(2,10(14)15)12(3,16)8-5-4-6-9(13)7-8/h4-7,16H,1-3H3,(H,14,15)
InChIKey ILFJXJPMTQEWTN-UHFFFAOYSA-N
Mol Weight 287.15 g/mol
Molecular Formula C12H15BrO3
Exact Mass 286.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIA3O2R1FbJ
Name 3-(3-bromophenyl)-3-hydroxy-2,2-dimethylbutanoic acid
CAS Registry Number 108773-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15BrO3
InChI InChI=1S/C12H15BrO3/c1-11(2,10(14)15)12(3,16)8-5-4-6-9(13)7-8/h4-7,16H,1-3H3,(H,14,15)
InChIKey ILFJXJPMTQEWTN-UHFFFAOYSA-N
Molecular Weight 287.153 g/mol
SMILES OC(C(C(=O)O)(C)C)(c1cc(Br)ccc1)C
SPLASH splash10-0ka2-0930000000-c8ccdfb89c1e90d09478
Source of Spectrum J-52-3148-0
Synonyms 3-(3-bromophenyl)-3-hydroxy-2,2-dimethyl-butanoic acid 3-(3-bromophenyl)-2,2-dimethyl-3-oxidanyl-butanoic acid
Wiley ID 1289376