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3,3'-Dibromo-6,6'-pentylenedioxy-2,2'-biphenyldiol
SpectraBase Compound ID 2KQO0aBukKr
InChI InChI=1S/C17H16Br2O4/c18-10-4-6-12-14(16(10)20)15-13(7-5-11(19)17(15)21)23-9-3-1-2-8-22-12/h4-7,20-21H,1-3,8-9H2
InChIKey DSHZOHRXLFDKTM-UHFFFAOYSA-N
Mol Weight 444.12 g/mol
Molecular Formula C17H16Br2O4
Exact Mass 441.941535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4SAur78x1i
Name 3,3'-Dibromo-6,6'-pentylenedioxy-2,2'-biphenyldiol
Alternate Name(s) (S)-3,3'-Dibromo-6,6'-pentylenedioxy-2,2'-biphenyldiol 2,14-dibromo-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecin-1,15-diol
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Formula C17H16Br2O4
InChI InChI=1S/C17H16Br2O4/c18-10-4-6-12-14(16(10)20)15-13(7-5-11(19)17(15)21)23-9-3-1-2-8-22-12/h4-7,20-21H,1-3,8-9H2
InChIKey DSHZOHRXLFDKTM-UHFFFAOYSA-N
Molecular Weight 444.119 g/mol
SMILES Oc1c2-c3c(c(ccc3OCCCCCOc2ccc1Br)Br)O
SPLASH splash10-016u-8007900000-8b11865290c1bd492163
Source of Spectrum F-53-16675-17
Wiley ID 804582