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

*Links on SpectraBase are not permalinks.
ETHYL-3,3'-(1,4-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-4-CYANOTETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLATE-1,1-DIOXIDE]
SpectraBase Compound ID IS2tewcWg0F
InChI InChI=1S/C36H34Cl2N2O8S2/c1-3-47-33(41)35(21-39)29(17-49(43,44)19-31(35)25-9-13-27(37)14-10-25)23-5-7-24(8-6-23)30-18-50(45,46)20-32(26-11-15-28(38)16-12-26)36(30,22-40)34(42)48-4-2/h5-16,29-32H,3-4,17-20H2,1-2H3/t29-,30-,31+,32+,35?,36?/m0/s1
InChIKey NWJUWNUEFQOZOS-NUZXIBOKSA-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

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DzxhVBTRTSv
Name ETHYL-3,3'-(1,4-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-4-CYANOTETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLATE-1,1-DIOXIDE]
Compound Number 6C
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(17-49(43,44)19-31(35)25-9-13-27(37)14-10-25)23-5-7-24(8-6-23)30-18-50(45,46)20-32(26-11-15-28(38)16-12-26)36(30,22-40)34(42)48-4-2/h5-16,29-32H,3-4,17-20H2,1-2H3/t29-,30-,31+,32+,35?,36?/m0/s1
InChIKey NWJUWNUEFQOZOS-NUZXIBOKSA-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 60931
Solvent Unknown