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

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

9H-Xanthen-9-one, 2,5-dichloro-1,3,6-trihydroxy-8-methyl-
SpectraBase Compound ID C1Aur7ra24h
InChI InChI=1S/C14H8Cl2O5/c1-4-2-5(17)11(16)14-8(4)12(19)9-7(21-14)3-6(18)10(15)13(9)20/h2-3,17-18,20H,1H3
InChIKey GKSZPGKBFDLXNF-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 4vgZZ6HQFdj
Name 2,5-Dichloro-1,3,6-trihydroxy-8-methyl-xanthone
CAS Registry Number 69987-54-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H8Cl2O5
InChI InChI=1S/C14H8Cl2O5/c1-4-2-5(17)11(16)14-8(4)12(19)9-7(21-14)3-6(18)10(15)13(9)20/h2-3,17-18,20H,1H3
InChIKey GKSZPGKBFDLXNF-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference E.G. Sundholm, Acta Chem. Scand. B33, 475 (1979).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6