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ETHYL-3,3'-(1,3-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-4-CYANOTETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLATE-1,1-DIOXIDE]
SpectraBase Compound ID JLAKCmz4nWr
InChI InChI=1S/C36H34Cl2N2O8S2/c1-3-47-33(41)35(21-39)29(23-8-12-27(37)13-9-23)17-49(43,44)19-31(35)25-6-5-7-26(16-25)32-20-50(45,46)18-30(24-10-14-28(38)15-11-24)36(32,22-40)34(42)48-4-2/h5-16,29-32H,3-4,17-20H2,1-2H3/t29-,30-,31+,32+,35?,36?/m1/s1
InChIKey DYDNTMMXQZVEPX-XXPBIFRSSA-N
Mol Weight 757.7 g/mol
Molecular Formula C36H34Cl2N2O8S2
Exact Mass 756.113364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVd7b3C1KTG
Name ETHYL-3,3'-(1,3-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-4-CYANOTETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLATE-1,1-DIOXIDE]
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H34Cl2N2O8S2
InChI InChI=1S/C36H34Cl2N2O8S2/c1-3-47-33(41)35(21-39)29(23-8-12-27(37)13-9-23)17-49(43,44)19-31(35)25-6-5-7-26(16-25)32-20-50(45,46)18-30(24-10-14-28(38)15-11-24)36(32,22-40)34(42)48-4-2/h5-16,29-32H,3-4,17-20H2,1-2H3/t29-,30-,31+,32+,35?,36?/m1/s1
InChIKey DYDNTMMXQZVEPX-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 757.701 g/mol
Sample ID 60928
Solvent Unknown