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2-(2'-Butyl-1'-ethenyl)-4,5-bis[(methoxydiphenyl)methyl]-1.3.2-dioxaborolane

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2-(2'-Butyl-1'-ethenyl)-4,5-bis[(methoxydiphenyl)methyl]-1.3.2-dioxaborolane
SpectraBase Compound ID Ctf8LLcpmCn
InChI InChI=1S/C36H39BO4/c1-4-5-6-19-28-37-40-33(35(38-2,29-20-11-7-12-21-29)30-22-13-8-14-23-30)34(41-37)36(39-3,31-24-15-9-16-25-31)32-26-17-10-18-27-32/h7-28,33-34H,4-6H2,1-3H3/b28-19+
InChIKey CJXBNNAABFQDTR-TURZUDJPSA-N
Mol Weight 546.5 g/mol
Molecular Formula C36H39BO4
Exact Mass 546.29414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 668UZN7COq9
Name 2-(2'-Butyl-1'-ethenyl)-4,5-bis[(methoxydiphenyl)methyl]-1.3.2-dioxaborolane
Comments Computed using HOSE algorithm
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Exact Mass 546.294139902 u
Formula C36H39BO4
InChI InChI=1S/C36H39BO4/c1-4-5-6-19-28-37-40-33(35(38-2,29-20-11-7-12-21-29)30-22-13-8-14-23-30)34(41-37)36(39-3,31-24-15-9-16-25-31)32-26-17-10-18-27-32/h7-28,33-34H,4-6H2,1-3H3/b28-19+
InChIKey CJXBNNAABFQDTR-TURZUDJPSA-N
Molecular Weight 546.514 g/mol
SMILES C1(C(OB(O1)\C=C\CCCC)C(C1=CC=CC=C1)(C1=CC=CC=C1)OC)C(C=1C=CC=CC1)(C=1C=CC=CC1)OC