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3-(2-chlorophenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

View entire compound with spectra: 2 NMR

3-(2-chlorophenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID DSLpMvjJsDU
InChI InChI=1S/C16H11ClN4S/c17-13-9-5-4-8-12(13)15-18-19-16-21(15)20-14(10-22-16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey KPDRRLPGEVLFPW-UHFFFAOYSA-N
Mol Weight 326.81 g/mol
Molecular Formula C16H11ClN4S
Exact Mass 326.039295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LS1OsBM9pIM
Name 3-(2-Chlorophenyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine
Comments Computed using HOSE algorithm
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Exact Mass 326.039295244 u
Formula C16H11ClN4S
InChI InChI=1S/C16H11ClN4S/c17-13-9-5-4-8-12(13)15-18-19-16-21(15)20-14(10-22-16)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey KPDRRLPGEVLFPW-UHFFFAOYSA-N
Molecular Weight 326.805 g/mol
SMILES C=1C=CC(C2=NN3C(=NN=C3SC2)C2=C(Cl)C=CC=C2)=CC1