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DIMETHYL-(RS)-6,6'-(DIBENZOTHIOPHEN-2,8-DIYL)-BIS-(2-ACETAMIDOHEXANOATE)
SpectraBase Compound ID K2FzWJvjppd
InChI InChI=1S/C30H38N2O6S/c1-19(33)31-25(29(35)37-3)11-7-5-9-21-13-15-27-23(17-21)24-18-22(14-16-28(24)39-27)10-6-8-12-26(30(36)38-4)32-20(2)34/h13-18,25-26H,5-12H2,1-4H3,(H,31,33)(H,32,34)
InChIKey UIVFKXKYYCSMLR-UHFFFAOYSA-N
Mol Weight 554.7 g/mol
Molecular Formula C30H38N2O6S
Exact Mass 554.245058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DT7Tel6rMi
Name DIMETHYL-(RS)-6,6'-(DIBENZOTHIOPHEN-2,8-DIYL)-BIS-(2-ACETAMIDOHEXANOATE)
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38N2O6S
InChI InChI=1S/C30H38N2O6S/c1-19(33)31-25(29(35)37-3)11-7-5-9-21-13-15-27-23(17-21)24-18-22(14-16-28(24)39-27)10-6-8-12-26(30(36)38-4)32-20(2)34/h13-18,25-26H,5-12H2,1-4H3,(H,31,33)(H,32,34)
InChIKey UIVFKXKYYCSMLR-UHFFFAOYSA-N
Literature Reference Author J.B.BREMNER,P.A.KELLER,S.G.PYNE,A.D.ROBERTSON,B.W.SKELTON,A. H.WHITE,H.M.WITCHARD
Literature Reference Citation AUSTR.J.CHEM.,53,535(2000)
Literature Reference DOI 10.1071/CH00029
Molecular Weight 554.702 g/mol
Solvent CDCl3
Source File Reference UWSI3014