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2-[{3-CHLORO-4-HYDROXY-5-(HYDROXYMETHYL)-PHENOXY}-METHYL]-BENZENE-1,4-DIOL
SpectraBase Compound ID 5Dl0e1Qb5A7
InChI InChI=1S/C14H13ClO5/c15-12-5-11(4-8(6-16)14(12)19)20-7-9-3-10(17)1-2-13(9)18/h1-5,16-19H,6-7H2
InChIKey WTDORBLYOHYLPZ-UHFFFAOYSA-N
Mol Weight 296.71 g/mol
Molecular Formula C14H13ClO5
Exact Mass 296.045151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATMNill11D0
Name 2-[{3-CHLORO-4-HYDROXY-5-(HYDROXYMETHYL)-PHENOXY}-METHYL]-BENZENE-1,4-DIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13ClO5
InChI InChI=1S/C14H13ClO5/c15-12-5-11(4-8(6-16)14(12)19)20-7-9-3-10(17)1-2-13(9)18/h1-5,16-19H,6-7H2
InChIKey WTDORBLYOHYLPZ-UHFFFAOYSA-N
Literature Reference Author L.CHEN,Y.FANG,T.ZHU,Q.GU,W.ZHU
Literature Reference Citation J.NAT.PROD.,71,66(2008)
Literature Reference DOI 10.1021/np070421v
Molecular Weight 296.707 g/mol
Sample ID 27279
Solvent DMSO-D6