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6-(BENYL_METHLBENZYL)-2,5-DIBROMO-3,4-DIHYDROXYBENYL_METHLESTER
SpectraBase Compound ID 4Y9lE39wIrL
InChI InChI=1S/C15H11Br5O5/c1-25-3-6-4(8(17)12(21)14(23)10(6)19)2-5-7(16)11(20)15(24)13(22)9(5)18/h21-24H,2-3H2,1H3
InChIKey RDFIGQFCAYWQNC-UHFFFAOYSA-N
Mol Weight 670.77 g/mol
Molecular Formula C15H11Br5O5
Exact Mass 665.652338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfN6Yaz091v
Name 6-(2,3,6-Tribromo-4,5-dihydroxybenzyl)-2,5-dibromo-3,4-dihydroxybenzyl methyl ether
Appearance Yellow oil
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Formula C15H11Br5O5
InChI InChI=1S/C15H11Br5O5/c1-25-3-6-4(8(17)12(21)14(23)10(6)19)2-5-7(16)11(20)15(24)13(22)9(5)18/h21-24H,2-3H2,1H3
InChIKey RDFIGQFCAYWQNC-UHFFFAOYSA-N
Instrument Name VG Autospec 3000
Ionization Type EI
Literature Reference DOI 10.1021/np070061b
Molecular Weight 670.768 g/mol
Reported Formula C15H11(79)Br2(81)Br3O5
SMILES Oc1c(c(c(c(c1Br)Cc1c(c(c(c(c1Br)O)O)Br)Br)COC)Br)O
SPLASH splash10-001i-9000100000-1976fa919179c4544956
Source of Spectrum G4-70-1212-3
Wiley ID 1874559