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(3aR,9S,9aS)-1,3-diketo-2-methyl-9-triethylsilyl-3a,4,5,8,9,9a-hexahydrobenzo[f]isoindole-6,6,7,7-tetracarboxylic acid tetraethyl ester
SpectraBase Compound ID AFSDqxGhdmK
InChI InChI=1S/C31H47NO10Si/c1-9-39-26(35)30(27(36)40-10-2)17-19-16-20-22(25(34)32(8)24(20)33)23(43(13-5,14-6)15-7)21(19)18-31(30,28(37)41-11-3)29(38)42-12-4/h20,22-23H,9-18H2,1-8H3/t20-,22-,23-/m1/s1
InChIKey WWHDQIJCNRAKSM-YMPZKCBVSA-N
Mol Weight 621.8 g/mol
Molecular Formula C31H47NO10Si
Exact Mass 621.296923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZzKOBIYH3c
Name (3aR,9S,9aS)-1,3-diketo-2-methyl-9-triethylsilyl-3a,4,5,8,9,9a-hexahydrobenzo[f]isoindole-6,6,7,7-tetracarboxylic acid tetraethyl ester
Compound Number 55
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H47NO10Si
InChI InChI=1S/C31H47NO10Si/c1-9-39-26(35)30(27(36)40-10-2)17-19-16-20-22(25(34)32(8)24(20)33)23(43(13-5,14-6)15-7)21(19)18-31(30,28(37)41-11-3)29(38)42-12-4/h20,22-23H,9-18H2,1-8H3/t20-,22-,23-/m1/s1
InChIKey WWHDQIJCNRAKSM-YMPZKCBVSA-N
Literature Reference Author X.WANG,H.CHAKRAPANI,J.W.MADINE,M.A.KEYERLEBER,R.A.WIDENHOEFE R
Literature Reference Citation J.ORG.CHEM.,67,2778(2002)
Literature Reference DOI 10.1021/jo015986p
Molecular Weight 621.800 g/mol
Solvent CDCl3
Source File Reference UWMS23924