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3,4,5-triethoxy-N-(3-[1,3]oxazolo[4,5-b]pyridin-2-ylphenyl)benzamide
SpectraBase Compound ID Ee38bljOWsH
InChI InChI=1S/C25H25N3O5/c1-4-30-20-14-17(15-21(31-5-2)22(20)32-6-3)24(29)27-18-10-7-9-16(13-18)25-28-23-19(33-25)11-8-12-26-23/h7-15H,4-6H2,1-3H3,(H,27,29)
InChIKey DMFPBTRBYJINLR-UHFFFAOYSA-N
Mol Weight 447.49 g/mol
Molecular Formula C25H25N3O5
Exact Mass 447.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEBU3fmaWYb
Name 3,4,5-Triethoxy-N-(3-[1,3]oxazolo[4,5-B]pyridin-2-ylphenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 447.179420912 u
Formula C25H25N3O5
InChI InChI=1S/C25H25N3O5/c1-4-30-20-14-17(15-21(31-5-2)22(20)32-6-3)24(29)27-18-10-7-9-16(13-18)25-28-23-19(33-25)11-8-12-26-23/h7-15H,4-6H2,1-3H3,(H,27,29)
InChIKey DMFPBTRBYJINLR-UHFFFAOYSA-N
Molecular Weight 447.491 g/mol
SMILES N(C(C1=CC(OCC)=C(C(=C1)OCC)OCC)=O)C=1C=C(C2=NC3=C(C=CC=N3)O2)C=CC1