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5,6'-Diethyloxymethyl-3,4,2'-tribromo-2,3',4'-trihydroxydiphenyl ether
SpectraBase Compound ID L8w8HH5edON
InChI InChI=1S/C18H19Br3O6/c1-3-25-7-9-6-12(17(24)14(20)13(9)19)27-18-10(8-26-4-2)5-11(22)16(23)15(18)21/h5-6,22-24H,3-4,7-8H2,1-2H3
InChIKey IRMPRBPRNSNXMK-UHFFFAOYSA-N
Mol Weight 571.06 g/mol
Molecular Formula C18H19Br3O6
Exact Mass 567.873177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SQmGZNowvX
Name 5,6'-Diethyloxymethyl-3,4,2'-tribromo-2,3',4'-trihydroxydiphenyl ether
Appearance Brown powder
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Formula C18H19Br3O6
InChI InChI=1S/C18H19Br3O6/c1-3-25-7-9-6-12(17(24)14(20)13(9)19)27-18-10(8-26-4-2)5-11(22)16(23)15(18)21/h5-6,22-24H,3-4,7-8H2,1-2H3
InChIKey IRMPRBPRNSNXMK-UHFFFAOYSA-N
Instrument Name Micromass Autospec-Ultima ETOF
Ionization Type EI
Literature Reference DOI 10.1021/np0400609
Molecular Weight 571.056 g/mol
Reported Formula C18H19(79)Br3O6
SMILES Oc1c(c(c(cc1Oc1c(c(c(cc1COCC)O)O)Br)COCC)Br)Br
SPLASH splash10-05dj-0020790000-a38c212b3e4199d9f4e1
Source of Spectrum G4-67-1665-1
Wiley ID 1881544