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9H-Xanthen-9-one, 2,4,7-trichloro-3,6,8-trihydroxy-1-methyl-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

9H-Xanthen-9-one, 2,4,7-trichloro-3,6,8-trihydroxy-1-methyl-
SpectraBase Compound ID G8YPdJQmpgl
InChI InChI=1S/C14H7Cl3O5/c1-3-6-11(19)7-5(2-4(18)9(16)12(7)20)22-14(6)10(17)13(21)8(3)15/h2,18,20-21H,1H3
InChIKey KIJCJDCUXMSIEZ-UHFFFAOYSA-N
Mol Weight 361.56 g/mol
Molecular Formula C14H7Cl3O5
Exact Mass 359.935906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIXIJYwosNp
Name 2,5,7-Trichloro-1,3,6-trihydroxy-8-methyl-xanthone
CAS Registry Number 22972-79-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H7Cl3O5
InChI InChI=1S/C14H7Cl3O5/c1-3-6-11(19)7-5(2-4(18)9(16)12(7)20)22-14(6)10(17)13(21)8(3)15/h2,18,20-21H,1H3
InChIKey KIJCJDCUXMSIEZ-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