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p-Chloro-o-{(2,3-dihydro-5-oxo-5H-thiazolo[3,2-A]pyrimidin-6-yl)carbonyl]benzamide oxime
SpectraBase Compound ID 173hzIuBeB4
InChI InChI=1S/C14H11ClN4O3S/c15-9-3-1-8(2-4-9)11(16)18-22-13(21)10-7-17-14-19(12(10)20)5-6-23-14/h1-4,7H,5-6H2,(H2,16,18)
InChIKey LWYTZEXRWZUJSE-UHFFFAOYSA-N
Mol Weight 350.78 g/mol
Molecular Formula C14H11ClN4O3S
Exact Mass 350.024039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HppqnjP51Gs
Name p-Chloro-o-{(2,3-dihydro-5-oxo-5H-thiazolo[3,2-A]pyrimidin-6-yl)carbonyl]benzamide oxime
Comments Computed using HOSE algorithm
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Exact Mass 350.024039101 u
Formula C14H11ClN4O3S
InChI InChI=1S/C14H11ClN4O3S/c15-9-3-1-8(2-4-9)11(16)18-22-13(21)10-7-17-14-19(12(10)20)5-6-23-14/h1-4,7H,5-6H2,(H2,16,18)
InChIKey LWYTZEXRWZUJSE-UHFFFAOYSA-N
Molecular Weight 350.780 g/mol
SMILES N\C(C1=CC=C(C=C1)Cl)=N/OC(C1=CN=C2N(C1=O)CCS2)=O