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5-AMINO-4-OXAMOYL-1-BENZYLIMIDAZOLIUM-TRIFLUOROMETHANE-SULFONATE
SpectraBase Compound ID Iwpivdy0Cgp
InChI InChI=1S/C12H12N4O2.CHF3O3S/c13-11-9(10(17)12(14)18)15-7-16(11)6-8-4-2-1-3-5-8;2-1(3,4)8(5,6)7/h1-5,7H,6,13H2,(H2,14,18);(H,5,6,7)
InChIKey VHLCYDFCHMTYAW-UHFFFAOYSA-N
Mol Weight 394.33 g/mol
Molecular Formula C13H13F3N4O5S
Exact Mass 394.055875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUuKfpedsyg
Name 5-AMINO-4-OXAMOYL-1-BENZYLIMIDAZOLIUM-TRIFLUOROMETHANE-SULFONATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13F3N4O5S
InChI InChI=1S/C12H12N4O2.CHF3O3S/c13-11-9(10(17)12(14)18)15-7-16(11)6-8-4-2-1-3-5-8;2-1(3,4)8(5,6)7/h1-5,7H,6,13H2,(H2,14,18);(H,5,6,7)
InChIKey VHLCYDFCHMTYAW-UHFFFAOYSA-N
Literature Reference Author M.J.ALVES,M.F.J.R.P.PROENCA,B.L.BOOTH
Literature Reference Citation J.HETCYCL.CHEM.,31,345(1994)
Literature Reference DOI 10.1002/jhet.5570310215
Molecular Weight 394.325 g/mol
Solvent DMSO-D6
Source File Reference UWCS18453