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(4R,7S,8S,9R)-4,7-DIHYDRO-1,3-DIMESITYL-N-PHENYL-4,7-ETHANO-BENZO-[C]-THIOPHEN-8,9-DICARBOXIMIDE
SpectraBase Compound ID Jg4QyFJDhmH
InChI InChI=1S/C36H33NO2S/c1-18-14-20(3)27(21(4)15-18)33-29-25-12-13-26(30(29)34(40-33)28-22(5)16-19(2)17-23(28)6)32-31(25)35(38)37(36(32)39)24-10-8-7-9-11-24/h7-17,25-26,31-32H,1-6H3/t25-,26+,31+,32-
InChIKey BETBUOQIFPIWLN-VGOHZWIPSA-N
Mol Weight 543.7 g/mol
Molecular Formula C36H33NO2S
Exact Mass 543.2232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AiAzHreMkhS
Name (4R,7S,8S,9R)-4,7-DIHYDRO-1,3-DIMESITYL-N-PHENYL-4,7-ETHANO-BENZO-[C]-THIOPHEN-8,9-DICARBOXIMIDE
CAS Registry Number 128710-00-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H33NO2S
InChI InChI=1S/C36H33NO2S/c1-18-14-20(3)27(21(4)15-18)33-29-25-12-13-26(30(29)34(40-33)28-22(5)16-19(2)17-23(28)6)32-31(25)35(38)37(36(32)39)24-10-8-7-9-11-24/h7-17,25-26,31-32H,1-6H3/t25-,26+,31+,32-
InChIKey BETBUOQIFPIWLN-VGOHZWIPSA-N
Literature Reference Author W.VOLZ,J.VOSS,G.ADIWIDJAJA
Literature Reference Citation CHEM.BER.,123,2065(1990)
Literature Reference DOI 10.1002/cber.19901231019
Molecular Weight 543.724 g/mol
Solvent CDCl3
Source File Reference UWED11866