For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
DIMETHYL-3,3'-(1,3-PHENYLENE)-BIS-[5-(4-METHYLPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBOXYLATE-1,1-DIOXIDE]
SpectraBase Compound ID I9nVePlyK5H
InChI InChI=1S/C38H42O12S2/c1-23-10-14-25(15-11-23)29-19-51(43,44)21-31(37(29,33(39)47-3)34(40)48-4)27-8-7-9-28(18-27)32-22-52(45,46)20-30(26-16-12-24(2)13-17-26)38(32,35(41)49-5)36(42)50-6/h7-18,29-32H,19-22H2,1-6H3/t29-,30-,31+,32+/m1/s1
InChIKey UPMBEFFITWDNKN-ZRTHHSRSSA-N
Mol Weight 754.9 g/mol
Molecular Formula C38H42O12S2
Exact Mass 754.211769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I8g2S9sF4cV
Name DIMETHYL-3,3'-(1,3-PHENYLENE)-BIS-[5-(4-METHYLPHENYL)-TETRAHYDRO-4H-THIOPYRAN-4,4-DICARBOXYLATE-1,1-DIOXIDE]
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42O12S2
InChI InChI=1S/C38H42O12S2/c1-23-10-14-25(15-11-23)29-19-51(43,44)21-31(37(29,33(39)47-3)34(40)48-4)27-8-7-9-28(18-27)32-22-52(45,46)20-30(26-16-12-24(2)13-17-26)38(32,35(41)49-5)36(42)50-6/h7-18,29-32H,19-22H2,1-6H3/t29-,30-,31+,32+/m1/s1
InChIKey UPMBEFFITWDNKN-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 754.864 g/mol
Sample ID 60921
Solvent Unknown