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2-(3-BROMO-5-METHYL-2-METHOXYPHENYL)-BENZOIC_ACID
SpectraBase Compound ID 3BmRmjMZywN
InChI InChI=1S/C15H13BrO3/c1-9-7-12(14(19-2)13(16)8-9)10-5-3-4-6-11(10)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKey QOXFIPSJVUOVPH-UHFFFAOYSA-N
Mol Weight 321.17 g/mol
Molecular Formula C15H13BrO3
Exact Mass 320.004807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HSWEFgOrkqA
Name 2-(3-BROMO-5-METHYL-2-METHOXYPHENYL)-BENZOIC_ACID
Compound Number 6J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13BrO3
InChI InChI=1S/C15H13BrO3/c1-9-7-12(14(19-2)13(16)8-9)10-5-3-4-6-11(10)15(17)18/h3-8H,1-2H3,(H,17,18)
InChIKey QOXFIPSJVUOVPH-UHFFFAOYSA-N
Literature Reference Author A.J.DEMUNER,L.C.A.BARBOSA,A.C.M.MIRANDA,G.C.GERALDO,C.M.DASI LVA,S.GIBERTI,M.BERT
Literature Reference Citation J.NAT.PROD.,76,2234(2013)
Literature Reference DOI 10.1021/np4005882
Molecular Weight 321.170 g/mol
Solvent CDCl3
Source File Reference UWMZ43497