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3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
SpectraBase Compound ID 4ePaQVZmUpm
InChI InChI=1S/C18H14N2O2S/c1-11-6-8-12(9-7-11)15-10-23-18(19-15)20-16-13-4-2-3-5-14(13)17(21)22-16/h2-10,16H,1H3,(H,19,20)
InChIKey WNRWFAPNPSNQCK-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C18H14N2O2S
Exact Mass 322.077599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQWy5ht2Aew
Name 3-[[4-(4-Methylphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
Comments Computed using HOSE algorithm
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Exact Mass 322.077598871 u
Formula C18H14N2O2S
InChI InChI=1S/C18H14N2O2S/c1-11-6-8-12(9-7-11)15-10-23-18(19-15)20-16-13-4-2-3-5-14(13)17(21)22-16/h2-10,16H,1H3,(H,19,20)
InChIKey WNRWFAPNPSNQCK-UHFFFAOYSA-N
Molecular Weight 322.382 g/mol
SMILES C1(OC(=O)C2=C1C=CC=C2)NC1=NC(C2=CC=C(C=C2)C)=CS1