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Ethyl 2-amino-4-methylthiazole-5-carboxylate, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

Ethyl 2-amino-4-methylthiazole-5-carboxylate, N-heptafluorobutyryl-
SpectraBase Compound ID FCj0QSlZaXF
InChI InChI=1S/C11H9F7N2O3S/c1-3-23-6(21)5-4(2)19-8(24-5)20-7(22)9(12,13)10(14,15)11(16,17)18/h3H2,1-2H3,(H,19,20,22)
InChIKey UGKDWPNWYYDGDJ-UHFFFAOYSA-N
Mol Weight 382.25 g/mol
Molecular Formula C11H9F7N2O3S
Exact Mass 382.02221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mJRhGbgchk
Name Ethyl 2-amino-4-methylthiazole-5-carboxylate, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 382.022210470 u
Formula C11H9F7N2O3S
InChI InChI=1S/C11H9F7N2O3S/c1-3-23-6(21)5-4(2)19-8(24-5)20-7(22)9(12,13)10(14,15)11(16,17)18/h3H2,1-2H3,(H,19,20,22)
InChIKey UGKDWPNWYYDGDJ-UHFFFAOYSA-N
Molecular Weight 382.253 g/mol
SMILES CC=1N=C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)SC1C(=O)OCC