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2-(1,2,2,2-Tetrabromoethoxy)-2,2-bis(2,2,3,3-tetrafluoropropoxy)-4,5-benzo-1,3,2-dioxaphospholane (diastereomer mixture)

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2-(1,2,2,2-Tetrabromoethoxy)-2,2-bis(2,2,3,3-tetrafluoropropoxy)-4,5-benzo-1,3,2-dioxaphospholane (diastereomer mixture)
SpectraBase Compound ID 6fmB1clYX2t
InChI InChI=1S/C14H11Br4F8O5P/c15-9(14(16,17)18)31-32(27-5-12(23,24)10(19)20,28-6-13(25,26)11(21)22)29-7-3-1-2-4-8(7)30-32/h1-4,9-11H,5-6H2
InChIKey CBOYIPNBZAEPIG-UHFFFAOYSA-N
Mol Weight 761.81 g/mol
Molecular Formula C14H11Br4F8O5P
Exact Mass 757.694988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3C8WAJKzPGs
Name 2-(1,2,2,2-Tetrabromoethoxy)-2,2-bis(2,2,3,3-tetrafluoropropoxy)-4,5-benzo-1,3,2-dioxaphospholane (diastereomer mixture)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 757.694987751 u
Formula C14H11Br4F8O5P
InChI InChI=1S/C14H11Br4F8O5P/c15-9(14(16,17)18)31-32(27-5-12(23,24)10(19)20,28-6-13(25,26)11(21)22)29-7-3-1-2-4-8(7)30-32/h1-4,9-11H,5-6H2
InChIKey CBOYIPNBZAEPIG-UHFFFAOYSA-N
Molecular Weight 761.814 g/mol
SMILES c1c2c(OP(O2)(OCC(C(F)F)(F)F)(OCC(C(F)F)(F)F)OC(Br)C(Br)(Br)Br)ccc1