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[bis(trifluoromethyl)methyl] N-[(pentafluoroethylcarbonyl]-.alpha.-amino-1H-imidazole-4-propanoate
SpectraBase Compound ID 2s2WEGS77v5
InChI InChI=1S/C12H8F11N3O3/c13-9(14,12(21,22)23)8(28)26-5(1-4-2-24-3-25-4)6(27)29-7(10(15,16)17)11(18,19)20/h2-3,5,7H,1H2,(H,24,25)(H,26,28)
InChIKey HMRHQQCUTJGDQS-UHFFFAOYSA-N
Mol Weight 451.2 g/mol
Molecular Formula C12H8F11N3O3
Exact Mass 451.039001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AX7kZ8D8FRW
Name [bis(trifluoromethyl)methyl] N-[(pentafluoroethylcarbonyl]-.alpha.-amino-1H-imidazole-4-propanoate
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Formula C12H8F11N3O3
InChI InChI=1S/C12H8F11N3O3/c13-9(14,12(21,22)23)8(28)26-5(1-4-2-24-3-25-4)6(27)29-7(10(15,16)17)11(18,19)20/h2-3,5,7H,1H2,(H,24,25)(H,26,28)
InChIKey HMRHQQCUTJGDQS-UHFFFAOYSA-N
Molecular Weight 451.196 g/mol
SMILES N(C(C(C(F)(F)F)(F)F)=O)C(Cc1c[nH]cn1)C(OC(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-000i-0940000000-82aa45c4e36fbe3ef4d5
Source of Spectrum JC-425-250-0
Synonyms 2,2,2-trifluoro-1-(trifluoromethyl)ethyl 3-(1H-imidazol-4-yl)-2-[(2,2,3,3,3-pentafluoropropanoyl)amino]propanoate
Wiley ID 1387900