John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JbcCuZWfwuP SpectraBase Spectrum ID=10eMgqm74Gl

(accessed ).
3,3'-(1,3-PHENYLENE)-BIS-[5-(4-METHYLPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBONITRILE-1,1-DIOXIDE]
SpectraBase Compound ID JbcCuZWfwuP
InChI InChI=1S/C34H30N4O4S2/c1-23-6-10-25(11-7-23)29-15-43(39,40)17-31(33(29,19-35)20-36)27-4-3-5-28(14-27)32-18-44(41,42)16-30(34(32,21-37)22-38)26-12-8-24(2)9-13-26/h3-14,29-32H,15-18H2,1-2H3/t29-,30-,31+,32+/m1/s1
InChIKey BJILEHRRFKCOPF-ZRTHHSRSSA-N
Mol Weight 622.8 g/mol
Molecular Formula C34H30N4O4S2
Exact Mass 622.170849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10eMgqm74Gl
Name 3,3'-(1,3-PHENYLENE)-BIS-[5-(4-METHYLPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBONITRILE-1,1-DIOXIDE]
Compound Number 7B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H30N4O4S2
InChI InChI=1S/C34H30N4O4S2/c1-23-6-10-25(11-7-23)29-15-43(39,40)17-31(33(29,19-35)20-36)27-4-3-5-28(14-27)32-18-44(41,42)16-30(34(32,21-37)22-38)26-12-8-24(2)9-13-26/h3-14,29-32H,15-18H2,1-2H3/t29-,30-,31+,32+/m1/s1
InChIKey BJILEHRRFKCOPF-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 622.757 g/mol
Sample ID 60933
Solvent Unknown
SpectraBase Batch ID GrKF2aRZpRS