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BU4-N-br:B-ph-(C6F5)2

View entire compound with spectra: 2 NMR

BU4-N-br:B-ph-(C6F5)2
SpectraBase Compound ID 5HAI3LKZmsa
InChI InChI=1S/C18H5BF10.C16H36BrN/c20-9-7(10(21)14(25)17(28)13(9)24)19(6-4-2-1-3-5-6)8-11(22)15(26)18(29)16(27)12(8)23;1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4/h1-5H;5-16H2,1-4H3
InChIKey RZIVTBBHGMMZAN-UHFFFAOYSA-N
Mol Weight 744.4 g/mol
Molecular Formula C34H41BBrF10N
Exact Mass 743.235575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BanJJYgbQ52
Name BU4-N-br:B-ph-(C6F5)2
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 743.235575124 u
Formula C34H41BBrF10N
InChI InChI=1S/C18H5BF10.C16H36BrN/c20-9-7(10(21)14(25)17(28)13(9)24)19(6-4-2-1-3-5-6)8-11(22)15(26)18(29)16(27)12(8)23;1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4/h1-5H;5-16H2,1-4H3
InChIKey RZIVTBBHGMMZAN-UHFFFAOYSA-N
Molecular Weight 744.407 g/mol
SMILES C1(B(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)=CC=CC=C1.C(N(Br)(CCCC)(CCCC)CCCC)CCC