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benzamide, N-(3-chloro-4-oxazolo[4,5-b]pyridin-2-ylphenyl)-4-ethyl-
SpectraBase Compound ID 24JhZezmc7b
InChI InChI=1S/C21H16ClN3O2/c1-2-13-5-7-14(8-6-13)20(26)24-15-9-10-16(17(22)12-15)21-25-19-18(27-21)4-3-11-23-19/h3-12H,2H2,1H3,(H,24,26)
InChIKey PXGGQILTRUJGBK-UHFFFAOYSA-N
Mol Weight 377.83 g/mol
Molecular Formula C21H16ClN3O2
Exact Mass 377.093104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByVFGeSbEVo
Name Benzamide, N-(3-chloro-4-oxazolo[4,5-B]pyridin-2-ylphenyl)-4-ethyl-
Comments Computed using HOSE algorithm
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Exact Mass 377.093104465 u
Formula C21H16ClN3O2
InChI InChI=1S/C21H16ClN3O2/c1-2-13-5-7-14(8-6-13)20(26)24-15-9-10-16(17(22)12-15)21-25-19-18(27-21)4-3-11-23-19/h3-12H,2H2,1H3,(H,24,26)
InChIKey PXGGQILTRUJGBK-UHFFFAOYSA-N
Molecular Weight 377.831 g/mol
SMILES N(C(C1=CC=C(C=C1)CC)=O)C=1C=CC(C2=NC=3N=CC=CC3O2)=C(C1)Cl