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N,N'-BIS-[(Z)-(5-METHYLSULPHONYLOXYMETHYL-2-PHENYL-1,3-DIOXAN-5-YL)]-ETHANEDIAMIDE
SpectraBase Compound ID Cf9kPlINOu9
InChI InChI=1S/C26H32N2O12S2/c1-41(31,32)39-17-25(13-35-23(36-14-25)19-9-5-3-6-10-19)27-21(29)22(30)28-26(18-40-42(2,33)34)15-37-24(38-16-26)20-11-7-4-8-12-20/h3-12,23-24H,13-18H2,1-2H3,(H,27,29)(H,28,30)/t23-,24-,25+,26+
InChIKey OQEWWEXEMOGRJD-YOXCBORPSA-N
Mol Weight 628.7 g/mol
Molecular Formula C26H32N2O12S2
Exact Mass 628.139667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JH0Fp6SsCCi
Name N,N'-BIS-[(Z)-(5-METHYLSULPHONYLOXYMETHYL-2-PHENYL-1,3-DIOXAN-5-YL)]-ETHANEDIAMIDE
Compound Number (Z-Z)3(AR=PH, R=MESO2)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N2O12S2
InChI InChI=1S/C26H32N2O12S2/c1-41(31,32)39-17-25(13-35-23(36-14-25)19-9-5-3-6-10-19)27-21(29)22(30)28-26(18-40-42(2,33)34)15-37-24(38-16-26)20-11-7-4-8-12-20/h3-12,23-24H,13-18H2,1-2H3,(H,27,29)(H,28,30)/t23-,24-,25+,26+
InChIKey OQEWWEXEMOGRJD-YOXCBORPSA-N
Literature Reference Author J.N.LOW,B.F.MILNE,J.N.ROSS,J.L.WARDELL
Literature Reference Citation J.BRAZ.CHEM.SOC.,13,207(2002)
Literature Reference DOI 10.1590/s0103-50532002000200012
Molecular Weight 628.666 g/mol
Solvent DMSO-D6
Source File Reference UWLU6806