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(3R,4S)-(+)-5-CHLORO-3,4-DIHYDRO-4,6,8-TRIHYDROXY-3-METHYL-1H-2-BENZOPYRAN-1-ONE
SpectraBase Compound ID 8iF62bR1tMu
InChI InChI=1S/C10H9ClO5/c1-3-9(14)7-6(10(15)16-3)4(12)2-5(13)8(7)11/h2-3,9,12-14H,1H3/t3-,9+/m1/s1
InChIKey ADCGGGYNNDZRRJ-OLLQQOEVSA-N
Mol Weight 244.63 g/mol
Molecular Formula C10H9ClO5
Exact Mass 244.013851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NGG5ci2Bft
Name (3R,4S)-(+)-5-CHLORO-3,4-DIHYDRO-4,6,8-TRIHYDROXY-3-METHYL-1H-2-BENZOPYRAN-1-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9ClO5
InChI InChI=1S/C10H9ClO5/c1-3-9(14)7-6(10(15)16-3)4(12)2-5(13)8(7)11/h2-3,9,12-14H,1H3/t3-,9+/m1/s1
InChIKey ADCGGGYNNDZRRJ-OLLQQOEVSA-N
Literature Reference Author K.KROHN,R.BAHRAMSARI,U.FLOERKE,K.LUDEWIG,C.KLICHE-SPORY,A.MI CHEL,J.J.AUST,S.DRAE
Literature Reference Citation PHYTOCHEM.,45,313(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00854-0
Molecular Weight 244.631 g/mol
Solvent CD3OD
Source File Reference UWSP1322