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9H-Xanthen-9-one, 2,5-dichloro-3,6,8-trihydroxy-1-methyl-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

9H-Xanthen-9-one, 2,5-dichloro-3,6,8-trihydroxy-1-methyl-
SpectraBase Compound ID 4l3n8PGx1ak
InChI InChI=1S/C14H8Cl2O5/c1-4-9-8(3-7(19)11(4)15)21-14-10(13(9)20)5(17)2-6(18)12(14)16/h2-3,17-19H,1H3
InChIKey GIFIVBSXNYNGET-UHFFFAOYSA-N
Mol Weight 327.12 g/mol
Molecular Formula C14H8Cl2O5
Exact Mass 325.974879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Ljjf2Nigae
Name 4,7-Dichloro-8-methyl-1,3,6-trihydroxy-xanthone
CAS Registry Number 67065-99-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H8Cl2O5
InChI InChI=1S/C14H8Cl2O5/c1-4-9-8(3-7(19)11(4)15)21-14-10(13(9)20)5(17)2-6(18)12(14)16/h2-3,17-19H,1H3
InChIKey GIFIVBSXNYNGET-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference E.G. Sundholm, Acta Chem. Scand. B32, 177 (1978).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6