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2-[2'-(Hept-1"-enyl)cyclopropyl]-4,5-bis[diphenyl(methoxy)methyl]-1,3,2-dioxaborolane
SpectraBase Compound ID 2ZN2FTmHuuq
InChI InChI=1S/C40H45BO4/c1-4-5-6-7-12-21-31-30-36(31)41-44-37(39(42-2,32-22-13-8-14-23-32)33-24-15-9-16-25-33)38(45-41)40(43-3,34-26-17-10-18-27-34)35-28-19-11-20-29-35/h8-29,31,36-38H,4-7,30H2,1-3H3/b21-12+
InChIKey ZWMRDDIQFJFYJG-CIAFOILYSA-N
Mol Weight 600.6 g/mol
Molecular Formula C40H45BO4
Exact Mass 600.34109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wLfbJkbF7h
Name 2-[2'-(Hept-1''-enyl)cyclopropyl]-4,5-bis[diphenyl(methoxy)methyl]-1,3,2-dioxaborolane
Comments Computed using HOSE algorithm
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Exact Mass 600.341090095 u
Formula C40H45BO4
InChI InChI=1S/C40H45BO4/c1-4-5-6-7-12-21-31-30-36(31)41-44-37(39(42-2,32-22-13-8-14-23-32)33-24-15-9-16-25-33)38(45-41)40(43-3,34-26-17-10-18-27-34)35-28-19-11-20-29-35/h8-29,31,36-38H,4-7,30H2,1-3H3/b21-12+
InChIKey ZWMRDDIQFJFYJG-CIAFOILYSA-N
Molecular Weight 600.606 g/mol
SMILES C1(OB(OC1C(C=1C=CC=CC1)(C=1C=CC=CC1)OC)C1CC1\C=C\CCCCC)C(C1=CC=CC=C1)(C1=CC=CC=C1)OC