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5-O-(TRANS)-O-COUMAROYL-QUINIC-ACID-METHYLESTER
SpectraBase Compound ID EfkKHfAF9oU
InChI InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(21)13(9-17)25-14(20)7-6-10-4-2-3-5-11(10)18/h2-7,12-13,15,18-19,21,23H,8-9H2,1H3/b7-6+/t12-,13-,15-,17+/m1/s1
InChIKey RIAOEYGWVGDKOA-MEJOAILUSA-N
Mol Weight 352.34 g/mol
Molecular Formula C17H20O8
Exact Mass 352.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C55jWdH38nS
Name 5-O-(TRANS)-O-COUMAROYL-QUINIC-ACID-METHYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20O8
InChI InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(21)13(9-17)25-14(20)7-6-10-4-2-3-5-11(10)18/h2-7,12-13,15,18-19,21,23H,8-9H2,1H3/b7-6+/t12-,13-,15-,17+/m1/s1
InChIKey RIAOEYGWVGDKOA-MEJOAILUSA-N
Literature Reference Author M.ZHANG,W.X.LIU,M.F.ZHENG,Q.L.XU,F.H.WAN,J.WANG,T.LEI,Z.Y.ZH OU,J.W.TAN
Literature Reference Citation MOLECULES,18,14096(2013)
Literature Reference DOI 10.3390/molecules181114096
Molecular Weight 352.341 g/mol
Solvent CD3OD
Source File Reference UWIR9898