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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkxcppC0O1X
Name 9H-Xanthen-9-one, 2,5-dichloro-3,6,8-trihydroxy-1-methyl-
CAS Registry Number 67065-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 327.119 g/mol
SMILES Oc1c(c(c2c(Oc3c(c(cc(c3Cl)O)O)C2=O)c1)C)Cl
SPLASH splash10-0006-9000000000-32a811c4d2d36260645d
Source of Spectrum B-43-1754-15
Synonyms 2,5-Dichloro-3,6,8-trihydroxy-1-methyl-9-xanthenone 2,5-Dichloro-3,6,8-trihydroxy-1-methylxanthen-9-one 2,5-Dichloro-3,6,8-trihydroxy-1-methyl-xanthen-9-one 2,5-bis(chloranyl)-1-methyl-3,6,8-tris(oxidanyl)xanthen-9-one
Wiley ID 1324420