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DIMETHYL-3,3'-(1,4-PHENYLENE)-BIS-[5-(4-METHYLPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBOXYLATE-1,1-DIOXIDE]
SpectraBase Compound ID CrOzl5zifqn
InChI InChI=1S/C38H42O12S2/c1-23-7-11-25(12-8-23)29-19-51(43,44)21-31(37(29,33(39)47-3)34(40)48-4)27-15-17-28(18-16-27)32-22-52(45,46)20-30(26-13-9-24(2)10-14-26)38(32,35(41)49-5)36(42)50-6/h7-18,29-32H,19-22H2,1-6H3/t29-,30-,31+,32+/m1/s1
InChIKey BJETXFOAMODCBK-ZRTHHSRSSA-N
Mol Weight 754.9 g/mol
Molecular Formula C38H42O12S2
Exact Mass 754.211769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Jn2GGAxsTC
Name DIMETHYL-3,3'-(1,4-PHENYLENE)-BIS-[5-(4-METHYLPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBOXYLATE-1,1-DIOXIDE]
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42O12S2
InChI InChI=1S/C38H42O12S2/c1-23-7-11-25(12-8-23)29-19-51(43,44)21-31(37(29,33(39)47-3)34(40)48-4)27-15-17-28(18-16-27)32-22-52(45,46)20-30(26-13-9-24(2)10-14-26)38(32,35(41)49-5)36(42)50-6/h7-18,29-32H,19-22H2,1-6H3/t29-,30-,31+,32+/m1/s1
InChIKey BJETXFOAMODCBK-ZRTHHSRSSA-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 754.864 g/mol
Sample ID 60924
Solvent Unknown