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ETHYL-3,3'-(1,4-PHENYLENE)-BIS-(5-PHENYL-4-CYANOTETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLATE-1,1-DIOXIDE)
SpectraBase Compound ID ExCwWURZcwl
InChI InChI=1S/C36H36N2O8S2/c1-3-45-33(39)35(23-37)29(25-11-7-5-8-12-25)19-47(41,42)21-31(35)27-15-17-28(18-16-27)32-22-48(43,44)20-30(26-13-9-6-10-14-26)36(32,24-38)34(40)46-4-2/h5-18,29-32H,3-4,19-22H2,1-2H3/t29-,30-,31+,32+,35?,36?/m1/s1
InChIKey ACTDZNLCTBMQRX-XXPBIFRSSA-N
Mol Weight 688.8 g/mol
Molecular Formula C36H36N2O8S2
Exact Mass 688.191308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZwxneyLRoU
Name ETHYL-3,3'-(1,4-PHENYLENE)-BIS-(5-PHENYL-4-CYANOTETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLATE-1,1-DIOXIDE)
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36N2O8S2
InChI InChI=1S/C36H36N2O8S2/c1-3-45-33(39)35(23-37)29(25-11-7-5-8-12-25)19-47(41,42)21-31(35)27-15-17-28(18-16-27)32-22-48(43,44)20-30(26-13-9-6-10-14-26)36(32,24-38)34(40)46-4-2/h5-18,29-32H,3-4,19-22H2,1-2H3/t29-,30-,31+,32+,35?,36?/m1/s1
InChIKey ACTDZNLCTBMQRX-XXPBIFRSSA-N
Literature Reference Author V.PADMAVATHI,D.R.C.V.SUBBAIAH,B.J.M.REDDY
Literature Reference Citation J.HETCYCL.CHEM.,42,255(2005)
Literature Reference DOI 10.1002/jhet.5570420212
Molecular Weight 688.810 g/mol
Sample ID 60929
Solvent Unknown