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Caffeic acid
SpectraBase Compound ID EId8scFWYs0
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PB1NnKN416
Name (E)-7-(3,4-DIHYDROXYPHENYL)-7-PROPENOIC-ACID
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey QAIPRVGONGVQAS-DUXPYHPUSA-N
Literature Reference Author T.B.D.S.D.S.NOGUEIRA,R.B.D.S.D.S.NOGUEIRA,D.A.E.SILVA,J.F.TA VARES,E.D.O.LIMA
Literature Reference Citation MOLECULES,18,11086(2013)
Literature Reference DOI 10.3390/molecules180911086
Molecular Weight 180.160 g/mol
Solvent CD3OD
Source File Reference UWIR9375