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ETHYL-3,3'-(1,4-PHENYLENE)-BIS-[5-(4-METHYLPHENYL)-4-CYANOTETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLATE-1,1-DIOXIDE]
SpectraBase Compound ID vEZPIdAn7O
InChI InChI=1S/C38H40N2O8S2/c1-5-47-35(41)37(23-39)31(27-11-7-25(3)8-12-27)19-49(43,44)21-33(37)29-15-17-30(18-16-29)34-22-50(45,46)20-32(28-13-9-26(4)10-14-28)38(34,24-40)36(42)48-6-2/h7-18,31-34H,5-6,19-22H2,1-4H3/t31-,32-,33+,34+,37?,38?/m1/s1
InChIKey PRIFKLVMQPQHJV-UMJPIRJUSA-N
Mol Weight 716.9 g/mol
Molecular Formula C38H40N2O8S2
Exact Mass 716.222609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HP6AAucd0lX
Name ETHYL-3,3'-(1,4-PHENYLENE)-BIS-[5-(4-METHYLPHENYL)-4-CYANOTETRAHYDRO-2H-THIOPYRAN-4-CARBOXYLATE-1,1-DIOXIDE]
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40N2O8S2
InChI InChI=1S/C38H40N2O8S2/c1-5-47-35(41)37(23-39)31(27-11-7-25(3)8-12-27)19-49(43,44)21-33(37)29-15-17-30(18-16-29)34-22-50(45,46)20-32(28-13-9-26(4)10-14-28)38(34,24-40)36(42)48-6-2/h7-18,31-34H,5-6,19-22H2,1-4H3/t31-,32-,33+,34+,37?,38?/m1/s1
InChIKey PRIFKLVMQPQHJV-UMJPIRJUSA-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 716.864 g/mol
Sample ID 60930
Solvent Unknown