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CHLOROGENIC-ACID;5'-CAFFEOYL-QUINIC-ACID

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CHLOROGENIC-ACID;5'-CAFFEOYL-QUINIC-ACID
SpectraBase Compound ID Cq7rj9vmTtY
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m0/s1
InChIKey CWVRJTMFETXNAD-KJOPMHRFSA-N
Mol Weight 354.31 g/mol
Molecular Formula C16H18O9
Exact Mass 354.095082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BYAJge7bGy8
Name CHLOROGENIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O9
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m0/s1
InChIKey CWVRJTMFETXNAD-KJOPMHRFSA-N
Literature Reference Author F.ATOGNONI,N.C.PERELLINO,S.CRIPPA,R.D.TOSO,B.DANIELI,A.MINGH ETTI,F.POLI,G.PRESSI
Literature Reference Citation FITOTERAPIA,82,950(2011)
Literature Reference DOI 10.1016/j.fitote.2011.05.008
Molecular Weight 354.314 g/mol
Solvent CD3OD
Source File Reference UWDB1090