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BIS(2,2,3-TRIBUTYL-4,5,5-TRIPHENYL-1-AZA-5-PHOSPHONIA-2-BORATACYCLOHEXA-3,6-DIENE-6-THIO)METHANE
SpectraBase Compound ID E9mNSZRkbhK
InChI InChI=1S/C67H86B2N2P2S2/c1-7-13-49-62-64(56-37-25-19-26-38-56)72(58-41-29-21-30-42-58,59-43-31-22-32-44-59)66(70-68(62,51-15-9-3)52-16-10-4)74-55-75-67-71-69(53-17-11-5,54-18-12-6)63(50-14-8-2)65(57-39-27-20-28-40-57)73(67,60-45-33-23-34-46-60)61-47-35-24-36-48-61/h19-48H,7-18,49-55H2,1-6H3
InChIKey YQKOVNLKDPQBIN-UHFFFAOYSA-N
Mol Weight 1067.1 g/mol
Molecular Formula C67H86B2N2P2S2
Exact Mass 1066.589377 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3QKHpgXhjE
Name BIS(2,2,3-TRIBUTYL-4,5,5-TRIPHENYL-1-AZA-5-PHOSPHONIA-2-BORATACYCLOHEXA-3,6-DIENE-6-THIO)METHANE
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Formula C67H86B2N2P2S2
InChI InChI=1S/C67H86B2N2P2S2/c1-7-13-49-62-64(56-37-25-19-26-38-56)72(58-41-29-21-30-42-58,59-43-31-22-32-44-59)66(70-68(62,51-15-9-3)52-16-10-4)74-55-75-67-71-69(53-17-11-5,54-18-12-6)63(50-14-8-2)65(57-39-27-20-28-40-57)73(67,60-45-33-23-34-46-60)61-47-35-24-36-48-61/h19-48H,7-18,49-55H2,1-6H3
InChIKey YQKOVNLKDPQBIN-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference B.A.ARBUZOV, G.N.NIKONOV, A.S.BALUEVA, R.M.KAMALOV, G.S.STEPANOV, M.A.PUDOVIK,I.A.LITVINOV, A.T.KH.LENSTRA, G.DZH.GEIZE (1992) Izv.Akad.Nauk SSSR(Russ.Lang.): N7, 1638-1644.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6H6 benzene