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N-[[(5S)-3-[3-fluoranyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
SpectraBase Compound ID HJc2v74OS2Y
InChI InChI=1S/C16H20FN3O4S/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-25(23)7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey WNRIDZUNMXATND-ZDUSSCGKSA-N
Mol Weight 369.41 g/mol
Molecular Formula C16H20FN3O4S
Exact Mass 369.115855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwWizDnAQ7N
Name N-[[(5S)-3-[3-fluoranyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
Comments Computed using HOSE algorithm
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Exact Mass 369.115855469 u
Formula C16H20FN3O4S
InChI InChI=1S/C16H20FN3O4S/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-25(23)7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey WNRIDZUNMXATND-ZDUSSCGKSA-N
Molecular Weight 369.411 g/mol
SMILES C1(N(C2=CC(F)=C(N3CCS(CC3)=O)C=C2)C[C@@](O1)(CNC(=O)C)[H])=O