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O-[(1,2,3-thiadiazol-4-yl)carbonyl]-alpha,alpha,alpha-trifluoro-p-toluamidoxime
SpectraBase Compound ID IiQpVJvaQht
InChI InChI=1S/C11H7F3N4O2S/c12-11(13,14)7-3-1-6(2-4-7)9(15)17-20-10(19)8-5-21-18-16-8/h1-5H,(H2,15,17)
InChIKey MDXBEQCLQHEBTJ-UHFFFAOYSA-N
Mol Weight 316.26 g/mol
Molecular Formula C11H7F3N4O2S
Exact Mass 316.024181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EguDfrepFM6
Name o-[(1,2,3-Thiadiazol-4-yl)carbonyl]-alpha,alpha,alpha-trifluoro-p-toluamidoxime
Comments Computed using HOSE algorithm
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Exact Mass 316.024181142 u
Formula C11H7F3N4O2S
InChI InChI=1S/C11H7F3N4O2S/c12-11(13,14)7-3-1-6(2-4-7)9(15)17-20-10(19)8-5-21-18-16-8/h1-5H,(H2,15,17)
InChIKey MDXBEQCLQHEBTJ-UHFFFAOYSA-N
Molecular Weight 316.258 g/mol
SMILES N\C(C1=CC=C(C=C1)C(F)(F)F)=N/OC(C1=CSN=N1)=O