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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 AftcOEt8eEA
Name CHLOROGENIC-ACID;5-O-CAFFEOYL-QUINIC-ACID
Compound Number 1
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 J.CORTHOUT,L.PIETERS,M.CLAEYS,D.V.BERGHE,A.VLIETINCK
Literature Reference Citation PHYTOCHEM.,31,1979(1992)
Literature Reference DOI 10.1016/0031-9422(92)80344-E
Molecular Weight 354.314 g/mol
Solvent ACETONE-D6:D2O=1:1
Source File Reference UWVN6074