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MCHUJCADKWAHTM-UHFFFAOYSA-N
SpectraBase Compound ID GSCfie6U6VJ
InChI InChI=1S/C22H22N2O5S2/c1-15-21(30(3,26)27)19(17-11-7-5-8-12-17)24(23-15)16(2)22(31(4,28)29)20(25)18-13-9-6-10-14-18/h5-14,22H,2H2,1,3-4H3
InChIKey MCHUJCADKWAHTM-UHFFFAOYSA-N
Mol Weight 458.55 g/mol
Molecular Formula C22H22N2O5S2
Exact Mass 458.097014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmuvpFJ29Vm
Name MCHUJCADKWAHTM-UHFFFAOYSA-N
Compound Number 969
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O5S2
InChI InChI=1S/C22H22N2O5S2/c1-15-21(30(3,26)27)19(17-11-7-5-8-12-17)24(23-15)16(2)22(31(4,28)29)20(25)18-13-9-6-10-14-18/h5-14,22H,2H2,1,3-4H3
InChIKey MCHUJCADKWAHTM-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 458.547 g/mol
Solvent CDCl3
Source File Reference UWVP2276