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2-BROMO-3-METHYL-BENZOIC-ACID

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2-BROMO-3-METHYL-BENZOIC-ACID
SpectraBase Compound ID HLKhV4T0eU1
InChI InChI=1S/C8H7BrO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey LSRTWJCYIWGKCQ-UHFFFAOYSA-N
Mol Weight 215.05 g/mol
Molecular Formula C8H7BrO2
Exact Mass 213.962942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7S3JJclDlij
Name 2-BROMO-3-METHYL-BENZOIC-ACID
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7BrO2
InChI InChI=1S/C8H7BrO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey LSRTWJCYIWGKCQ-UHFFFAOYSA-N
Literature Reference Author L.DIMICHELE,K.MENZEL,P.MILLS,D.FRANTZ,T.NELSON
Literature Reference Citation MAGN.RES.CHEM.,44,1041(2006)
Literature Reference DOI 10.1002/mrc.1891
Molecular Weight 215.046 g/mol
Sample ID 63529
Solvent CD3OD