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DIMETHYL-3,3'-(1,4-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBOXYLATE-1,1-DIOXIDE]
SpectraBase Compound ID 1undN4aopFh
InChI InChI=1S/C36H36Cl2O12S2/c1-47-31(39)35(32(40)48-2)27(17-51(43,44)19-29(35)23-9-13-25(37)14-10-23)21-5-7-22(8-6-21)28-18-52(45,46)20-30(24-11-15-26(38)16-12-24)36(28,33(41)49-3)34(42)50-4/h5-16,27-30H,17-20H2,1-4H3/t27-,28-,29+,30+/m0/s1
InChIKey FVFUAJKKTMDFNK-VZNYXHRGSA-N
Mol Weight 795.7 g/mol
Molecular Formula C36H36Cl2O12S2
Exact Mass 794.102524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiGcTUhg6sC
Name DIMETHYL-3,3'-(1,4-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBOXYLATE-1,1-DIOXIDE]
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36Cl2O12S2
InChI InChI=1S/C36H36Cl2O12S2/c1-47-31(39)35(32(40)48-2)27(17-51(43,44)19-29(35)23-9-13-25(37)14-10-23)21-5-7-22(8-6-21)28-18-52(45,46)20-30(24-11-15-26(38)16-12-24)36(28,33(41)49-3)34(42)50-4/h5-16,27-30H,17-20H2,1-4H3/t27-,28-,29+,30+/m0/s1
InChIKey FVFUAJKKTMDFNK-VZNYXHRGSA-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 795.701 g/mol
Sample ID 60925
Solvent Unknown