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3-bromo-N-(2-methyl-5-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)benzamide
SpectraBase Compound ID L8AbTOnPimx
InChI InChI=1S/C20H14BrN3O2/c1-12-7-8-14(20-24-18-17(26-20)6-3-9-22-18)11-16(12)23-19(25)13-4-2-5-15(21)10-13/h2-11H,1H3,(H,23,25)
InChIKey BLAAAXMHTCBXDW-UHFFFAOYSA-N
Mol Weight 408.26 g/mol
Molecular Formula C20H14BrN3O2
Exact Mass 407.02694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2i0zn8ldHaa
Name 3-Bromo-N-(2-methyl-5-[1,3]oxazolo[4,5-B]pyridin-2-ylphenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 407.026939701 u
Formula C20H14BrN3O2
InChI InChI=1S/C20H14BrN3O2/c1-12-7-8-14(20-24-18-17(26-20)6-3-9-22-18)11-16(12)23-19(25)13-4-2-5-15(21)10-13/h2-11H,1H3,(H,23,25)
InChIKey BLAAAXMHTCBXDW-UHFFFAOYSA-N
Molecular Weight 408.255 g/mol
SMILES N(C(C1=CC(Br)=CC=C1)=O)C1=CC(C2=NC3=C(C=CC=N3)O2)=CC=C1C