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N-(3-{(1Z)-N-[amino(oxo)acetyl]ethanehydrazonoyl}phenyl)-2,2,2-trifluoroacetamide
SpectraBase Compound ID 8npdgBHImp6
InChI InChI=1S/C12H11F3N4O3/c1-6(18-19-10(21)9(16)20)7-3-2-4-8(5-7)17-11(22)12(13,14)15/h2-5H,1H3,(H2,16,20)(H,17,22)(H,19,21)/b18-6-
InChIKey GKSYXTHRCWBWPD-FXBPXSCXSA-N
Mol Weight 316.24 g/mol
Molecular Formula C12H11F3N4O3
Exact Mass 316.078325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eFK2XjXdR1
Name N-(3-{(1Z)-N-[Amino(oxo)acetyl]ethanehydrazonoyl}phenyl)-2,2,2-trifluoroacetamide
Comments Computed using HOSE algorithm
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Exact Mass 316.078324716 u
Formula C12H11F3N4O3
InChI InChI=1S/C12H11F3N4O3/c1-6(18-19-10(21)9(16)20)7-3-2-4-8(5-7)17-11(22)12(13,14)15/h2-5H,1H3,(H2,16,20)(H,17,22)(H,19,21)/b18-6-
InChIKey GKSYXTHRCWBWPD-FXBPXSCXSA-N
Molecular Weight 316.240 g/mol
SMILES NC(C(N\N=C/(C1=CC(NC(C(F)(F)F)=O)=CC=C1)C)=O)=O