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4-O-CAFFEOYLQUINICO-ACID
SpectraBase Compound ID 7fprQsJGAtA
InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChIKey GYFFKZTYYAFCTR-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 HzuQW0gEZp4
Name 4-CQA;4-CAFFEOYLQUINIC-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(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChIKey GYFFKZTYYAFCTR-JUHZACGLSA-N
Literature Reference Author F.WEI,K.FURIHATA,F.HU,T.MIYAKAWA,M.TANOKURA
Literature Reference Citation MAGN.RES.CHEM.,48,857(2010)
Literature Reference DOI 10.1002/mrc.2678
Molecular Weight 354.314 g/mol
Solvent Unknown
Source File Reference UWIR16767