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1-Ethanone, 2-[1-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-1-phenyl-
SpectraBase Compound ID Ae1z5TQxAVm
InChI InChI=1S/C18H13N3OS/c22-16(13-6-2-1-3-7-13)12-14-10-11-19-21(14)18-20-15-8-4-5-9-17(15)23-18/h1-11H,12H2
InChIKey HWAOEILYLMWKPT-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C18H13N3OS
Exact Mass 319.077933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbtqvWrwEJr
Name 1-Ethanone, 2-[1-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-1-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 319.077933224 u
Formula C18H13N3OS
InChI InChI=1S/C18H13N3OS/c22-16(13-6-2-1-3-7-13)12-14-10-11-19-21(14)18-20-15-8-4-5-9-17(15)23-18/h1-11H,12H2
InChIKey HWAOEILYLMWKPT-UHFFFAOYSA-N
Molecular Weight 319.382 g/mol
SMILES C1=CC=C2C(=C1)N=C(S2)N1C(=CC=N1)CC(C1=CC=CC=C1)=O