John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7fprQsJGAtA SpectraBase Spectrum ID=2v593JumRZE

(accessed ).
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 2v593JumRZE
Name 4-O-CAFFEOYLQUINICO-ACID
Compound Number 4
Copyright Copyright © 2016-2021 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 D.M.ESTORK,D.F.GUSMAO,M.L.B.PACIENCIA,I.E.C.DIAZ,A.D.VARELLA ,R.N.YOUNES,L.F.L.RE
Literature Reference Citation MOLECULES,19,3973(2014)
Literature Reference DOI 10.3390/molecules19043973
Molecular Weight 354.314 g/mol
Solvent CD3OD
Source File Reference UWBT14511
SpectraBase Batch ID 2szS7ybCKKo