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(E)-[2-(p-Cyanophenyl)ethenyl]dimesitylborane
SpectraBase Compound ID CcZAdjvlHB7
InChI InChI=1S/C27H28BN/c1-18-13-20(3)26(21(4)14-18)28(27-22(5)15-19(2)16-23(27)6)12-11-24-7-9-25(17-29)10-8-24/h7-16H,1-6H3/b12-11+
InChIKey DZFPWUDEIJNIHY-VAWYXSNFSA-N
Mol Weight 377.3 g/mol
Molecular Formula C27H28BN
Exact Mass 377.23148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MIVirWqDrd
Name (E)-[2-(p-Cyanophenyl)ethenyl]dimesitylborane
Comments Computed using HOSE algorithm
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Exact Mass 377.231480076 u
Formula C27H28BN
InChI InChI=1S/C27H28BN/c1-18-13-20(3)26(21(4)14-18)28(27-22(5)15-19(2)16-23(27)6)12-11-24-7-9-25(17-29)10-8-24/h7-16H,1-6H3/b12-11+
InChIKey DZFPWUDEIJNIHY-VAWYXSNFSA-N
Molecular Weight 377.338 g/mol
SMILES C=1(B(C=2C(C)=CC(C)=CC2C)\C=C\C=2C=CC(=CC2)C#N)C(C)=CC(C)=CC1C