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3,3'-(1,4-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBONITRILE-1,1-DIOXIDE]
SpectraBase Compound ID 6GmT1Qy03JW
InChI InChI=1S/C32H24Cl2N4O4S2/c33-25-9-5-23(6-10-25)29-15-43(39,40)13-27(31(29,17-35)18-36)21-1-2-22(4-3-21)28-14-44(41,42)16-30(32(28,19-37)20-38)24-7-11-26(34)12-8-24/h1-12,27-30H,13-16H2/t27-,28-,29+,30+/m0/s1
InChIKey BAZAUPRICFQADZ-VZNYXHRGSA-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 KgiGrJ5mT84
Name 3,3'-(1,4-PHENYLENE)-BIS-[5-(4-CHLOROPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBONITRILE-1,1-DIOXIDE]
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H24Cl2N4O4S2
InChI InChI=1S/C32H24Cl2N4O4S2/c33-25-9-5-23(6-10-25)29-15-43(39,40)13-27(31(29,17-35)18-36)21-1-2-22(4-3-21)28-14-44(41,42)16-30(32(28,19-37)20-38)24-7-11-26(34)12-8-24/h1-12,27-30H,13-16H2/t27-,28-,29+,30+/m0/s1
InChIKey BAZAUPRICFQADZ-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 663.593 g/mol
Sample ID 60937
Solvent Unknown