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Tetra-N-butylammonium-1-(4-bromophenyl)-but-3-en-1-oxy-trifluoroborate

View entire compound with spectra: 3 NMR

Tetra-N-butylammonium-1-(4-bromophenyl)-but-3-en-1-oxy-trifluoroborate
SpectraBase Compound ID yj7T5LgEDe
InChI InChI=1S/C16H36N.C10H10BBrF3O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3-10(16-11(13,14)15)8-4-6-9(12)7-5-8/h5-16H2,1-4H3;2,4-7,10H,1,3H2/q+1;-1
InChIKey DQWUULINIMCQFO-UHFFFAOYSA-N
Mol Weight 536.4 g/mol
Molecular Formula C26H46BBrF3NO
Exact Mass 535.280793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qgeaNw9ZDE
Name Tetra-N-butylammonium-1-(4-bromophenyl)-but-3-en-1-oxy-trifluoroborate
Comments Computed using HOSE algorithm
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Exact Mass 535.280792763 u
Formula C26H46BBrF3NO
InChI InChI=1S/C16H36N.C10H10BBrF3O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-3-10(16-11(13,14)15)8-4-6-9(12)7-5-8/h5-16H2,1-4H3;2,4-7,10H,1,3H2/q+1;-1
InChIKey DQWUULINIMCQFO-UHFFFAOYSA-N
Molecular Weight 536.369 g/mol
SMILES C([N+](CCCC)(CCCC)CCCC)CCC.C1(Br)=CC=C(C(CC=C)O[B-](F)(F)F)C=C1