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2-O-CAFFEOYL-(+)ALLOHYDROXYCITRIC ACID

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2-O-CAFFEOYL-(+)ALLOHYDROXYCITRIC ACID
SpectraBase Compound ID CssH9LQeBeT
InChI InChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+/t12-,15+/m1/s1
InChIKey OUWOVSUGDPWIBY-GRYLXXLRSA-N
Mol Weight 370.27 g/mol
Molecular Formula C15H14O11
Exact Mass 370.053611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FIFDUuU0uva
Name 2-O-CAFFEOYL-(+)-ALLOHYDROXYCITRIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H14O11
InChI InChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+/t12-,15+/m1/s1
InChIKey OUWOVSUGDPWIBY-GRYLXXLRSA-N
Literature Reference Author J.CORTHOUT,L.PIETERS,M.CLAEYS,D.V.BERGHE,A.VLIETINCK
Literature Reference Citation PHYTOCHEM.,31,1979(1992)
Literature Reference DOI 10.1016/0031-9422(92)80344-E
Molecular Weight 370.270 g/mol
Solvent ACETONE-D6:D2O=1:1
Source File Reference UWVN6076