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N-METHYL-N-[2-(4-METHYL-4',5'-DIPENTYLTETRATHIAFULVALENYL-5-CARBONYLOXY)-ETHYL]-13,13,14,14-TETRACYANO-ANTHRAQUINO-DIMETHANE-2-SULFONYLAMIDE
SpectraBase Compound ID 20H6t0qyoZm
InChI InChI=1S/C41H39N5O4S5/c1-5-7-9-15-34-35(16-10-8-6-2)53-41(52-34)40-51-26(3)38(54-40)39(47)50-20-19-46(4)55(48,49)29-17-18-32-33(21-29)37(28(24-44)25-45)31-14-12-11-13-30(31)36(32)27(22-42)23-43/h11-14,17-18,21H,5-10,15-16,19-20H2,1-4H3
InChIKey UEFCRXSQFDOBQI-UHFFFAOYSA-N
Mol Weight 826.1 g/mol
Molecular Formula C41H39N5O4S5
Exact Mass 825.160561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBzMYhoZlDg
Name N-METHYL-N-[2-(4-METHYL-4',5'-DIPENTYLTETRATHIAFULVALENYL-5-CARBONYLOXY)-ETHYL]-13,13,14,14-TETRACYANO-ANTHRAQUINO-DIMETHANE-2-SULFONYLAMIDE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H39N5O4S5
InChI InChI=1S/C41H39N5O4S5/c1-5-7-9-15-34-35(16-10-8-6-2)53-41(52-34)40-51-26(3)38(54-40)39(47)50-20-19-46(4)55(48,49)29-17-18-32-33(21-29)37(28(24-44)25-45)31-14-12-11-13-30(31)36(32)27(22-42)23-43/h11-14,17-18,21H,5-10,15-16,19-20H2,1-4H3
InChIKey UEFCRXSQFDOBQI-UHFFFAOYSA-N
Literature Reference Author D.F.PEREPICHKA,M.R.BRYCE,A.S.BATSANOV,J.A.K.HOWARD,A.O.CUELL O,M.GRAY,V.M.ROTELLO
Literature Reference Citation J.ORG.CHEM.,66,4517(2001)
Literature Reference DOI 10.1021/jo001576+
Molecular Weight 826.092 g/mol
Solvent CDCl3
Source File Reference UWMS28034