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1,3,5-Tris(dimesitylboryl)benzene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,3,5-Tris(dimesitylboryl)benzene
SpectraBase Compound ID EyeGcopfgNS
InChI InChI=1S/C60H69B3/c1-34-19-40(7)55(41(8)20-34)61(56-42(9)21-35(2)22-43(56)10)52-31-53(62(57-44(11)23-36(3)24-45(57)12)58-46(13)25-37(4)26-47(58)14)33-54(32-52)63(59-48(15)27-38(5)28-49(59)16)60-50(17)29-39(6)30-51(60)18/h19-33H,1-18H3
InChIKey FXFVZRXERBZHPF-UHFFFAOYSA-N
Mol Weight 822.6 g/mol
Molecular Formula C60H69B3
Exact Mass 822.567843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LweegcbNjD
Name 1,3,5-Tris(dimesitylboryl)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 822.567842732 u
Formula C60H69B3
InChI InChI=1S/C60H69B3/c1-34-19-40(7)55(41(8)20-34)61(56-42(9)21-35(2)22-43(56)10)52-31-53(62(57-44(11)23-36(3)24-45(57)12)58-46(13)25-37(4)26-47(58)14)33-54(32-52)63(59-48(15)27-38(5)28-49(59)16)60-50(17)29-39(6)30-51(60)18/h19-33H,1-18H3
InChIKey FXFVZRXERBZHPF-UHFFFAOYSA-N
Molecular Weight 822.642 g/mol
SMILES C=1(C=C(C=C(C1)B(C1=C(C=C(C=C1C)C)C)C1=C(C=C(C=C1C)C)C)B(C1=C(C=C(C=C1C)C)C)C=1C(C)=CC(C)=CC1C)B(C1=C(C=C(C=C1C)C)C)C1=C(C=C(C=C1C)C)C