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Chlorogenic acid
SpectraBase Compound ID 4kKwCfb3Wx9
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+/m1/s1
InChIKey CWVRJTMFETXNAD-JUHZACGLSA-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 4TYosztD1bs
Name CHLOROGENIC-ACID
Compound Number I
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+/m1/s1
InChIKey CWVRJTMFETXNAD-JUHZACGLSA-N
Literature Reference Author X.SHU,M.WANG,D.LIU
Literature Reference Citation QUIM.NOVA,36,836(2013)
Literature Reference DOI 10.1590/s0100-40422013000600017
Molecular Weight 354.314 g/mol
Solvent DMSO-D6
Source File Reference UWIR12004