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S2620_BISMETHANESULFONATE

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S2620_BISMETHANESULFONATE
SpectraBase Compound ID DXMPY3jpiNj
InChI InChI=1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)
InChIKey MRDBGMJEPGXQHJ-UHFFFAOYSA-N
Mol Weight 669.76 g/mol
Molecular Formula C28H37F2N7O6S2
Exact Mass 669.221481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8V69OHthA19
Name MRDBGMJEPGXQHJ-UHFFFAOYSA-N
Compound Number 4''
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37F2N7O6S2
InChI InChI=1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)
InChIKey MRDBGMJEPGXQHJ-UHFFFAOYSA-N
Literature Reference Author M.AMM,N.PLATZER,J.P.BOUCHET,J.P.VOLLAND
Literature Reference Citation MAGN.RES.CHEM.,39,77(2001)
Literature Reference DOI 10.1002/1097-458x(200102)39:2<77::aid-mrc801>3.0.co;2-h
Molecular Weight 669.762 g/mol
Solvent CD3OD
Source File Reference UWSI25003