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2-CHLORO-1,8-DIHYDROXY-5-METHOXY-6-METHYL-9H-XANTHEN-9-ONE;4-DECHLOROTHIOMELIN;TH1
SpectraBase Compound ID 3rKXPN6TpDj
InChI InChI=1S/C15H11ClO5/c1-6-5-8(17)10-13(19)11-9(4-3-7(16)12(11)18)21-15(10)14(6)20-2/h3-5,17-18H,1-2H3
InChIKey CDKKJMKIQSUIMA-UHFFFAOYSA-N
Mol Weight 306.7 g/mol
Molecular Formula C15H11ClO5
Exact Mass 306.029501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ctHHPXPsTE
Name 2-chloranyl-5-methoxy-6-methyl-1,8-bis(oxidanyl)xanthen-9-one
CAS Registry Number 113734-84-2
Comments Less than 3 mono-isotopic peaks
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Formula C15H11ClO5
InChI InChI=1S/C15H11ClO5/c1-6-5-8(17)10-13(19)11-9(4-3-7(16)12(11)18)21-15(10)14(6)20-2/h3-5,17-18H,1-2H3
InChIKey CDKKJMKIQSUIMA-UHFFFAOYSA-N
Molecular Weight 306.701 g/mol
SMILES Oc1cc(c(c2c1C(c1c(c(ccc1O2)Cl)O)=O)OC)C
SPLASH splash10-0006-0093000000-12f1450bd9c32a43786e
Source of Spectrum B-46-95-0
Synonyms 9H-Xanthen-9-one, 2-chloro-1,8-dihydroxy-5-methoxy-6-methyl- 2-chloro-1,8-dihydroxy-5-methoxy-6-methyl-9-xanthenone 2-chloro-1,8-dihydroxy-5-methoxy-6-methyl-xanthen-9-one 2-chloro-1,8-dihydroxy-5-methoxy-6-methyl-xanthone
Wiley ID 1307826