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2,2',3-Tribromo-3',4,4',5-tetrahydroxy-6'-hydroxymethyldiphenyl methane
SpectraBase Compound ID 7p12NixUwjl
InChI InChI=1S/C14H11Br3O5/c15-10-5(2-8(19)14(22)12(10)17)1-7-6(4-18)3-9(20)13(21)11(7)16/h2-3,18-22H,1,4H2
InChIKey FZJSRHWEUVKMLN-UHFFFAOYSA-N
Mol Weight 498.95 g/mol
Molecular Formula C14H11Br3O5
Exact Mass 495.815662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkfMDLOQh3R
Name 2,2',3-Tribromo-3',4,4',5-tetrahydroxy-6'-hydroxymethyldiphenyl methane
Appearance White needles
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Formula C14H11Br3O5
InChI InChI=1S/C14H11Br3O5/c15-10-5(2-8(19)14(22)12(10)17)1-7-6(4-18)3-9(20)13(21)11(7)16/h2-3,18-22H,1,4H2
InChIKey FZJSRHWEUVKMLN-UHFFFAOYSA-N
Instrument Name Micromass Autopec-Ultima ETOF
Ionization Type EI
Literature Reference DOI 10.1021/np020528c
Molecular Weight 498.949 g/mol
Reported Formula C14H11(79)Br3O5
SMILES Oc1c(c(c(Cc2c(c(c(cc2CO)O)O)Br)cc1O)Br)Br
SPLASH splash10-001i-6011910000-d01f0c1f83096b056ae1
Source of Spectrum G4-66-457-2
Wiley ID 1881314