For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(4-METHYL-4',5'-DIPENTYLTETRATHIAFULVALENYL-5-CARBONYLOXY)-4-(13,13,14,14-TETRACYANO-ANTHRAQUINO-DIMETHANE-2-SULFONYLOXY)-BENZENE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(4-METHYL-4',5'-DIPENTYLTETRATHIAFULVALENYL-5-CARBONYLOXY)-4-(13,13,14,14-TETRACYANO-ANTHRAQUINO-DIMETHANE-2-SULFONYLOXY)-BENZENE
SpectraBase Compound ID 1ijeZUSABlO
InChI InChI=1S/C44H36N4O5S5/c1-4-6-8-14-37-38(15-9-7-5-2)56-44(55-37)43-54-27(3)41(57-43)42(49)52-30-16-18-31(19-17-30)53-58(50,51)32-20-21-35-36(22-32)40(29(25-47)26-48)34-13-11-10-12-33(34)39(35)28(23-45)24-46/h10-13,16-22H,4-9,14-15H2,1-3H3
InChIKey PDYPPWITLWGEHG-UHFFFAOYSA-N
Mol Weight 861.1 g/mol
Molecular Formula C44H36N4O5S5
Exact Mass 860.128926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HopR3TESf3Q
Name 1-(4-METHYL-4',5'-DIPENTYLTETRATHIAFULVALENYL-5-CARBONYLOXY)-4-(13,13,14,14-TETRACYANO-ANTHRAQUINO-DIMETHANE-2-SULFONYLOXY)-BENZENE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H36N4O5S5
InChI InChI=1S/C44H36N4O5S5/c1-4-6-8-14-37-38(15-9-7-5-2)56-44(55-37)43-54-27(3)41(57-43)42(49)52-30-16-18-31(19-17-30)53-58(50,51)32-20-21-35-36(22-32)40(29(25-47)26-48)34-13-11-10-12-33(34)39(35)28(23-45)24-46/h10-13,16-22H,4-9,14-15H2,1-3H3
InChIKey PDYPPWITLWGEHG-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 861.094 g/mol
Solvent ACETONE-D6
Source File Reference UWMS28035