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4-O-(E)-CAFFEOYLQUINIC-ACID-METHYLESTER
SpectraBase Compound ID Kn815sLcq8v
InChI InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
InChIKey SMFKCIHIAHWGGL-AWOKGZDASA-N
Mol Weight 368.34 g/mol
Molecular Formula C17H20O9
Exact Mass 368.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eop4ZLaoHiO
Name 4-O-(E)-CAFFEOYLQUINIC-ACID-METHYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O9
InChI InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(13(21)8-17)26-14(22)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-21,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1
InChIKey SMFKCIHIAHWGGL-AWOKGZDASA-N
Literature Reference Author A.N.D.L.BATISTA,J.M.B.JUNIOR,S.N.LOPEZ,M.FURLAN,A.J.CAVALHEI RO,D.H.S.SILVA
Literature Reference Citation QUIM.NOVA,33,321(2010)
Literature Reference DOI 10.1590/s0100-40422010000200017
Molecular Weight 368.340 g/mol
Solvent DMSO-D6
Source File Reference UWBT11907