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DIMETHYL-3,3'-(1,4-PHENYLENE)-BIS-(5-PHENYL-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBOXYLATE-1,1-DIOXIDE)
SpectraBase Compound ID D5Hg46UnWb6
InChI InChI=1S/C36H38O12S2/c1-45-31(37)35(32(38)46-2)27(23-11-7-5-8-12-23)19-49(41,42)21-29(35)25-15-17-26(18-16-25)30-22-50(43,44)20-28(24-13-9-6-10-14-24)36(30,33(39)47-3)34(40)48-4/h5-18,27-30H,19-22H2,1-4H3/t27-,28-,29+,30+/m1/s1
InChIKey XNUCZYSYLATZPD-XAZDILKDSA-N
Mol Weight 726.8 g/mol
Molecular Formula C36H38O12S2
Exact Mass 726.180469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lsa4XwgrCnI
Name DIMETHYL-3,3'-(1,4-PHENYLENE)-BIS-(5-PHENYL-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBOXYLATE-1,1-DIOXIDE)
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H38O12S2
InChI InChI=1S/C36H38O12S2/c1-45-31(37)35(32(38)46-2)27(23-11-7-5-8-12-23)19-49(41,42)21-29(35)25-15-17-26(18-16-25)30-22-50(43,44)20-28(24-13-9-6-10-14-24)36(30,33(39)47-3)34(40)48-4/h5-18,27-30H,19-22H2,1-4H3/t27-,28-,29+,30+/m1/s1
InChIKey XNUCZYSYLATZPD-XAZDILKDSA-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 726.811 g/mol
Sample ID 60923
Solvent Unknown