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(S)-2'-Boranatodiphenylphosphine-2-diphenylphosphinyl-1,1'-binaphtyl
SpectraBase Compound ID 66eP1PbcqEr
InChI InChI=1S/C44H35BOP2/c45-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,47H,45H2
InChIKey QURZYVQELCTGOJ-UHFFFAOYSA-N
Mol Weight 652.5 g/mol
Molecular Formula C44H35BOP2
Exact Mass 652.22562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVwWkOEAkRa
Name (S)-2'-Boranatodiphenylphosphine-2-diphenylphosphinyl-1,1'-binaphtyl
Comments Computed using HOSE algorithm
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Exact Mass 652.225619912 u
Formula C44H35BOP2
InChI InChI=1S/C44H35BOP2/c45-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32,47H,45H2
InChIKey QURZYVQELCTGOJ-UHFFFAOYSA-N
Molecular Weight 652.521 g/mol
Nominal Mass 652 u
SMILES C1(P(=O)(C2=CC=CC=C2)C2=CC=CC=C2)=C(C2=C(C=CC=3C=CC=CC23)P(B)(C2=CC=CC=C2)C2=CC=CC=C2)C2=C(C=C1)C=CC=C2