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4,5-DIMETHYLIMIDAZOL-TRIFLUOROACETIC-ACID

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4,5-DIMETHYLIMIDAZOL-TRIFLUOROACETIC-ACID
SpectraBase Compound ID A0YXdG6PH4M
InChI InChI=1S/C5H8N2.C2HF3O2/c1-4-5(2)7-3-6-4;3-2(4,5)1(6)7/h3H,1-2H3,(H,6,7);(H,6,7)
InChIKey NUFDWDWEUZQXDF-UHFFFAOYSA-N
Mol Weight 210.16 g/mol
Molecular Formula C7H9F3N2O2
Exact Mass 210.061612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlERJtXl126
Name 4,5-DIMETHYLIMIDAZOL-TRIFLUOROACETIC-ACID
Compound Number 1 *CF3COOH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9F3N2O2
InChI InChI=1S/C5H8N2.C2HF3O2/c1-4-5(2)7-3-6-4;3-2(4,5)1(6)7/h3H,1-2H3,(H,6,7);(H,6,7)
InChIKey NUFDWDWEUZQXDF-UHFFFAOYSA-N
Literature Reference Author A.D'SA,L.A.COHEN
Literature Reference Citation J.HETCYCL.CHEM.,28,1819(1991)
Literature Reference DOI 10.1002/jhet.5570280730
Molecular Weight 210.156 g/mol
Solvent DMSO-D6
Source File Reference UWCP6105