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o-(2,3-Dihydro-5-oxo-5H-thiazolo[3,2-A]pyrimidin-6-yl)carbonyl]-alpha,alpha,alpha-trifluoro-p-toluamidoxime
SpectraBase Compound ID C17Iy7FTkYl
InChI InChI=1S/C15H11F3N4O3S/c16-15(17,18)9-3-1-8(2-4-9)11(19)21-25-13(24)10-7-20-14-22(12(10)23)5-6-26-14/h1-4,7H,5-6H2,(H2,19,21)
InChIKey XJUDKFUASLVLAT-UHFFFAOYSA-N
Mol Weight 384.33 g/mol
Molecular Formula C15H11F3N4O3S
Exact Mass 384.050396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhjschVjP7Q
Name o-(2,3-Dihydro-5-oxo-5H-thiazolo[3,2-A]pyrimidin-6-yl)carbonyl]-alpha,alpha,alpha-trifluoro-p-toluamidoxime
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.050395890 u
Formula C15H11F3N4O3S
InChI InChI=1S/C15H11F3N4O3S/c16-15(17,18)9-3-1-8(2-4-9)11(19)21-25-13(24)10-7-20-14-22(12(10)23)5-6-26-14/h1-4,7H,5-6H2,(H2,19,21)
InChIKey XJUDKFUASLVLAT-UHFFFAOYSA-N
Molecular Weight 384.333 g/mol
SMILES N\C(C1=CC=C(C=C1)C(F)(F)F)=N/OC(C1=CN=C2N(C1=O)CCS2)=O