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3A(S),4(S),6A(R)-4-(4-METHYLETHYLOXYCARBONYLBUTYL)-5-METHYLETHYL-[6,6-(2)H(2)]-2,3,3A,4,6,6A-HEXAHYDRO-THIENO-[3.4-D]-IMIDAZOL-2-ONE-TETRAPHENYLBOR
SpectraBase Compound ID 7kvBbC2vnfE
InChI InChI=1S/C40H49BN2O3S/c1-30(2)46-38(44)28-18-17-27-37-39-36(42-40(45)43-39)29-47(37,31(3)4)41(32-19-9-5-10-20-32,33-21-11-6-12-22-33,34-23-13-7-14-24-34)35-25-15-8-16-26-35/h5-16,19-26,30-31,36-37,39H,17-18,27-29H2,1-4H3,(H2,42,43,45)
InChIKey LTDRTZWAZPEZPU-UHFFFAOYSA-N
Mol Weight 648.7 g/mol
Molecular Formula C40H49BN2O3S
Exact Mass 648.355695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0ElEqUrfSB
Name 3A(S),4(S),6A(R)-4-(4-METHYLETHYLOXYCARBONYLBUTYL)-5-METHYLETHYL-[6,6-(2)H(2)]-2,3,3A,4,6,6A-HEXAHYDRO-THIENO-[3.4-D]-IMIDAZOL-2-ONE-TETRAPHENYLBOR
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H49BN2O3S
InChI InChI=1S/C40H49BN2O3S/c1-30(2)46-38(44)28-18-17-27-37-39-36(42-40(45)43-39)29-47(37,31(3)4)41(32-19-9-5-10-20-32,33-21-11-6-12-22-33,34-23-13-7-14-24-34)35-25-15-8-16-26-35/h5-16,19-26,30-31,36-37,39H,17-18,27-29H2,1-4H3,(H2,42,43,45)
InChIKey LTDRTZWAZPEZPU-UHFFFAOYSA-N
Literature Reference Author F.ESCALETTES,D.FLORENTIN,B.T.S.BUI,D.LESAGE,A.MARQUET
Literature Reference Citation J.AM.CHEM.SOC.,121,3571(1999)
Literature Reference DOI 10.1021/ja9811748
Molecular Weight 648.711 g/mol
Solvent ACETONE-D6