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2,4,7-Trichloro-1,3,6-trihydroxy-8-methyl-9-xanthenone
SpectraBase Compound ID LTv2FhZJOuK
InChI InChI=1S/C14H7Cl3O5/c1-3-6-5(2-4(18)8(3)15)22-14-7(11(6)19)12(20)9(16)13(21)10(14)17/h2,18,20-21H,1H3
InChIKey GRNSTMJGXYTCDS-UHFFFAOYSA-N
Mol Weight 361.56 g/mol
Molecular Formula C14H7Cl3O5
Exact Mass 359.935906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aQHsCtjhTG
Name 2,4,7-trichloro-1,3,6-trihydroxy-8-methyl-9-xanthenone
CAS Registry Number 70110-69-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7Cl3O5
InChI InChI=1S/C14H7Cl3O5/c1-3-6-5(2-4(18)8(3)15)22-14-7(11(6)19)12(20)9(16)13(21)10(14)17/h2,18,20-21H,1H3
InChIKey GRNSTMJGXYTCDS-UHFFFAOYSA-N
Molecular Weight 361.564 g/mol
SMILES Oc1c(c(c2c(Oc3c(c(c(c(c3Cl)O)Cl)O)C2=O)c1)C)Cl
SPLASH splash10-03di-0009000000-bd3b0d793050421c6995
Source of Spectrum B-43-1756-22
Synonyms 2,4,7-trichloro-1,3,6-trihydroxy-8-methyl-xanthen-9-one 2,4,7-trichloro-1,3,6-trihydroxy-8-methyl-xanthone 2,4,7-tris(chloranyl)-8-methyl-1,3,6-tris(oxidanyl)xanthen-9-one
Wiley ID 1348001