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phenyl-[4-[phenyl-(2,4,6-triisopropylphenyl)boranuidylidene]ammoniophenyl]iminio-(2,4,6-triisopropylphenyl)boranuide
SpectraBase Compound ID EWXI1zispvt
InChI InChI=1S/C48H62B2N2/c1-31(2)37-27-43(33(5)6)47(44(28-37)34(7)8)49(39-19-15-13-16-20-39)51-41-23-25-42(26-24-41)52-50(40-21-17-14-18-22-40)48-45(35(9)10)29-38(32(3)4)30-46(48)36(11)12/h13-36,51-52H,1-12H3
InChIKey KMRQVRZFESRXMC-UHFFFAOYSA-N
Mol Weight 688.7 g/mol
Molecular Formula C48H62B2N2
Exact Mass 688.50991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgUhq2wFzrR
Name phenyl-[4-[phenyl-(2,4,6-triisopropylphenyl)boranuidylidene]ammoniophenyl]iminio-(2,4,6-triisopropylphenyl)boranuide
Appearance Colorless solid
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Exact Mass 688.509910344 u
Formula C48H62B2N2
InChI InChI=1S/C48H62B2N2/c1-31(2)37-27-43(33(5)6)47(44(28-37)34(7)8)49(39-19-15-13-16-20-39)51-41-23-25-42(26-24-41)52-50(40-21-17-14-18-22-40)48-45(35(9)10)29-38(32(3)4)30-46(48)36(11)12/h13-36,51-52H,1-12H3
InChIKey KMRQVRZFESRXMC-UHFFFAOYSA-N
Instrument Name Finnigan MAT95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612476
SMILES [NH+](=[B-](C=1C=CC=CC1)C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C=1C=CC(=CC1)[NH+]=[B-](C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)C=1C=CC=CC1
SPLASH splash10-000i-0011009000-fc265f25685866de7828
Source of Spectrum ACI-56-SM4-5 (DOI: 10.1002/anie.201612476)
Thin-Layer Chromatography 0.55 (hexane/DCM, 5:1 to 2:1)
Wiley ID 1895472