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CIS-3,4-DIBrOMO-2,5-DIMETHOXYBENZO-[B]-1,6,6A,12A-TETRAHYDROXANTHONE
SpectraBase Compound ID EE5adqZdXtC
InChI InChI=1S/C19H16Br2O4/c1-23-18-10-7-12-14(8-11(10)19(24-2)16(21)15(18)20)25-13-6-4-3-5-9(13)17(12)22/h3-6,12,14H,7-8H2,1-2H3/t12-,14+/m0/s1
InChIKey LSHLKQGEILKHEX-GXTWGEPZSA-N
Mol Weight 468.14 g/mol
Molecular Formula C19H16Br2O4
Exact Mass 465.941535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4sINAUQNFq
Name (cis)-2,5-Dimethoxy-3,4-dibromobenzo[b]-(1,6,6a,12a-tetrahydro)xanthone
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Formula C19H16Br2O4
InChI InChI=1S/C19H16Br2O4/c1-23-18-10-7-12-14(8-11(10)19(24-2)16(21)15(18)20)25-13-6-4-3-5-9(13)17(12)22/h3-6,12,14H,7-8H2,1-2H3/t12-,14+/m0/s1
InChIKey LSHLKQGEILKHEX-GXTWGEPZSA-N
Molecular Weight 468.141 g/mol
SMILES c12c(c(OC)c(c(c2OC)Br)Br)C[C@@]2([C@](C1)(C(c1ccccc1O2)=O)[H])[H]
SPLASH splash10-00xr-1301900000-928551311f1e951b7d47
Source of Spectrum AH-134-558-5
Synonyms (5aR,11aS)-8,9-bis(bromanyl)-7,10-dimethoxy-5a,6,11,11a-tetrahydrobenzo[b]xanthen-12-one
Wiley ID 1546835