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3-Chloranyl-3,6,7-trimethyl-5,8-bis(oxidanyl)naphthalene-1,2,4-trione
SpectraBase Compound ID Bm2eh7AUxKk
InChI InChI=1S/C13H11ClO5/c1-4-5(2)9(16)7-6(8(4)15)10(17)12(19)13(3,14)11(7)18/h15-16H,1-3H3
InChIKey DTHPBBJUQOKWDY-UHFFFAOYSA-N
Mol Weight 282.68 g/mol
Molecular Formula C13H11ClO5
Exact Mass 282.029501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZRvAPoJaia
Name 3-Chloranyl-3,6,7-trimethyl-5,8-bis(oxidanyl)naphthalene-1,2,4-trione
Alternate Name(s) 3-Chloro-5,8-dihydroxy-3,6,7-trimethyl-tetralin-1,2,4-trione 3-Chloro-5,8-dihydroxy-3,6,7-trimethylnaphthalene-1,2,4-trione
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Formula C13H11ClO5
InChI InChI=1S/C13H11ClO5/c1-4-5(2)9(16)7-6(8(4)15)10(17)12(19)13(3,14)11(7)18/h15-16H,1-3H3
InChIKey DTHPBBJUQOKWDY-UHFFFAOYSA-N
Molecular Weight 282.679 g/mol
SMILES Oc1c2c(c(c(c1C)C)O)C(C(C(C2=O)=O)(Cl)C)=O
SPLASH splash10-0002-0090000000-8b78fd75d0500cd96c70
Source of Spectrum QF-49-470-6
Wiley ID 1547853