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6-CHLOROCATECHIN;(2R,3S)-6-CHLORO-5,7,3',4'-TETRAHYDROXYFLAVAN-3-OL
SpectraBase Compound ID GpbdoYXL205
InChI InChI=1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2/t11-,15+/m0/s1
InChIKey BHTBHJNGFQRAJI-XHDPSFHLSA-N
Mol Weight 324.72 g/mol
Molecular Formula C15H13ClO6
Exact Mass 324.040066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8Tjqu7PZCA
Name 6-CHLOROCATECHIN;(2R,3S)-6-CHLORO-5,7,3',4'-TETRAHYDROXYFLAVAN-3-OL
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13ClO6
InChI InChI=1S/C15H13ClO6/c16-13-10(19)5-12-7(14(13)21)4-11(20)15(22-12)6-1-2-8(17)9(18)3-6/h1-3,5,11,15,17-21H,4H2/t11-,15+/m0/s1
InChIKey BHTBHJNGFQRAJI-XHDPSFHLSA-N
Literature Reference Author L.O.DEMIREZER,A.KURUUEZUEM-UZ,I.BERGERE.H.J.SCHIEWE,A.ZEECK
Literature Reference Citation PHYTOCHEM.,58,1213(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00337-5
Molecular Weight 324.718 g/mol
Solvent DMSO-D6
Source File Reference UWLU3139