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5-O-CAFFEOYL-SHIKIMIC-ACID
SpectraBase Compound ID KpPeEXzwgP1
InChI InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+
InChIKey QMPHZIPNNJOWQI-DUXPYHPUSA-N
Mol Weight 336.3 g/mol
Molecular Formula C16H16O8
Exact Mass 336.084517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39gz98rmgn2
Name 5-O-CAFFEOYL-SHIKIMIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O8
InChI InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+
InChIKey QMPHZIPNNJOWQI-DUXPYHPUSA-N
Literature Reference Author M.VEIT,C.WEIDNER,D.STRACK,V.WRAY,L.WITTE,F.C.CZYGAN
Literature Reference Citation PHYTOCHEM.,31,3483(1992)
Literature Reference DOI 10.1016/0031-9422(92)83711-7
Molecular Weight 336.298 g/mol
Solvent CD3OD
Source File Reference UWVN24295