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(1RS,2SR,3SR)-3-Bromo-1,2,5,8-tetrahydroxy-3-methyl-1,2,3,4-tetrahydro-9,10-anthraquinone
SpectraBase Compound ID 8ldP62p8P5O
InChI InChI=1S/C15H13BrO6/c1-15(16)4-5-8(13(21)14(15)22)12(20)10-7(18)3-2-6(17)9(10)11(5)19/h2-3,13-14,17-18,21-22H,4H2,1H3
InChIKey NTDLSYWCOCJGHX-UHFFFAOYSA-N
Mol Weight 369.17 g/mol
Molecular Formula C15H13BrO6
Exact Mass 367.989551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59SgwjVaSZs
Name (1RS,2SR,3SR)-3-Bromo-1,2,5,8-tetrahydroxy-3-methyl-1,2,3,4-tetrahydro-9,10-anthraquinone
Alternate Name(s) (1RS,2RS,3RS)-3-Bromo-1,2,5,8-tetrahydroxy-3-methyl-1,2,3,4-tetrahydro-9,10-anthraquinone 3-Bromo-1,2,5,8-tetrahydroxy-3-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione
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Formula C15H13BrO6
InChI InChI=1S/C15H13BrO6/c1-15(16)4-5-8(13(21)14(15)22)12(20)10-7(18)3-2-6(17)9(10)11(5)19/h2-3,13-14,17-18,21-22H,4H2,1H3
InChIKey NTDLSYWCOCJGHX-UHFFFAOYSA-N
Molecular Weight 369.167 g/mol
SMILES Oc1c2c(C(C3=C(CC(C(C3O)O)(Br)C)C2=O)=O)c(cc1)O
SPLASH splash10-0ue9-5090000000-9371b9863041650bae76
Source of Spectrum B-44-1725-17
Wiley ID 1352790