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3,3'-(1,3-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBONITRILE-1,1-DIOXIDE]
SpectraBase Compound ID 9dXZ1VRra5I
InChI InChI=1S/C32H24Cl2N4O4S2/c33-25-8-4-21(5-9-25)27-13-43(39,40)15-29(31(27,17-35)18-36)23-2-1-3-24(12-23)30-16-44(41,42)14-28(32(30,19-37)20-38)22-6-10-26(34)11-7-22/h1-12,27-30H,13-16H2/t27-,28-,29+,30+/m1/s1
InChIKey KTVPBFZJQRBMLP-XAZDILKDSA-N
Mol Weight 663.6 g/mol
Molecular Formula C32H24Cl2N4O4S2
Exact Mass 662.061603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DnKeaBXP7DZ
Name 3,3'-(1,3-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBONITRILE-1,1-DIOXIDE]
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H24Cl2N4O4S2
InChI InChI=1S/C32H24Cl2N4O4S2/c33-25-8-4-21(5-9-25)27-13-43(39,40)15-29(31(27,17-35)18-36)23-2-1-3-24(12-23)30-16-44(41,42)14-28(32(30,19-37)20-38)22-6-10-26(34)11-7-22/h1-12,27-30H,13-16H2/t27-,28-,29+,30+/m1/s1
InChIKey KTVPBFZJQRBMLP-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 663.593 g/mol
Sample ID 60934
Solvent Unknown