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3,3'-(1,4-PHENYLENE)-BIS-(5-PHENYL-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBONITRILE-1,1-DIOXIDE)
SpectraBase Compound ID AU6CGq7zV8U
InChI InChI=1S/C32H26N4O4S2/c33-19-31(20-34)27(23-7-3-1-4-8-23)15-41(37,38)17-29(31)25-11-13-26(14-12-25)30-18-42(39,40)16-28(32(30,21-35)22-36)24-9-5-2-6-10-24/h1-14,27-30H,15-18H2/t27-,28-,29+,30+/m1/s1
InChIKey JBQRWQRKRLNSBV-XAZDILKDSA-N
Mol Weight 594.7 g/mol
Molecular Formula C32H26N4O4S2
Exact Mass 594.139548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnMnlFJ6IYq
Name 3,3'-(1,4-PHENYLENE)-BIS-(5-PHENYL-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBONITRILE-1,1-DIOXIDE)
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H26N4O4S2
InChI InChI=1S/C32H26N4O4S2/c33-19-31(20-34)27(23-7-3-1-4-8-23)15-41(37,38)17-29(31)25-11-13-26(14-12-25)30-18-42(39,40)16-28(32(30,21-35)22-36)24-9-5-2-6-10-24/h1-14,27-30H,15-18H2/t27-,28-,29+,30+/m1/s1
InChIKey JBQRWQRKRLNSBV-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 594.703 g/mol
Sample ID 60935
Solvent Unknown