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5,6-Dihydro-4-methyl-5-oxo-2,6-diphenyl-4H-1,3,4-thiadiazine
SpectraBase Compound ID FkclFBXsVRo
InChI InChI=1S/C16H14N2OS/c1-18-16(19)14(12-8-4-2-5-9-12)20-15(17-18)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKey CBSXYJDLOWATMK-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C16H14N2OS
Exact Mass 282.082684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4NrBMxzoeW
Name 5,6-Dihydro-4-methyl-5-oxo-2,6-diphenyl-4H-1,3,4-thiadiazine
Comments Computed using HOSE algorithm
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Exact Mass 282.082684252 u
Formula C16H14N2OS
InChI InChI=1S/C16H14N2OS/c1-18-16(19)14(12-8-4-2-5-9-12)20-15(17-18)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKey CBSXYJDLOWATMK-UHFFFAOYSA-N
SMILES C1(=NN(C(C(S1)C1=CC=CC=C1)=O)C)C1=CC=CC=C1