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5-PARA-TRANS-COUMAROYLQUINIC-ACID

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-PARA-TRANS-COUMAROYLQUINIC-ACID
SpectraBase Compound ID 6BINWUbCnSO
InChI InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m0/s1
InChIKey BMRSEYFENKXDIS-LUTKEZBSSA-N
Mol Weight 338.31 g/mol
Molecular Formula C16H18O8
Exact Mass 338.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnbmlHFdvAH
Name 5-PARA-TRANS-COUMAROYLQUINIC-ACID
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18O8
InChI InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m0/s1
InChIKey BMRSEYFENKXDIS-LUTKEZBSSA-N
Literature Reference Author Y.LU,Y.SUN,L.Y.FOO,W.C.MCNABB,A.L.MOLAN
Literature Reference Citation PHYTOCHEM.,55,67(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00143-6
Molecular Weight 338.314 g/mol
Solvent CD3OD
Source File Reference UWLU2414