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1,4-Dibromo-2,5-di{2'-[2''-(2'''-hydroxyethoxy)ethoxy]ethoxy}-benzene
SpectraBase Compound ID C0HbD3Aq4C5
InChI InChI=1S/C18H28Br2O8/c19-15-14-18(28-12-10-26-8-6-24-4-2-22)16(20)13-17(15)27-11-9-25-7-5-23-3-1-21/h13-14,21-22H,1-12H2
InChIKey MTGZFXVROJGRPX-UHFFFAOYSA-N
Mol Weight 532.22 g/mol
Molecular Formula C18H28Br2O8
Exact Mass 530.015094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tLQ33Vunms
Name 1,4-Dibromo-2,5-di{2'-[2''-(2'''-hydroxyethoxy)ethoxy]ethoxy}-benzene
Comments Computed using HOSE algorithm
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Exact Mass 530.015093854 u
Formula C18H28Br2O8
InChI InChI=1S/C18H28Br2O8/c19-15-14-18(28-12-10-26-8-6-24-4-2-22)16(20)13-17(15)27-11-9-25-7-5-23-3-1-21/h13-14,21-22H,1-12H2
InChIKey MTGZFXVROJGRPX-UHFFFAOYSA-N
Molecular Weight 532.222 g/mol
SMILES C=1C(=C(OCCOCCOCCO)C=C(C1OCCOCCOCCO)Br)Br