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acetamide, N-(3-chloro-4-oxazolo[4,5-b]pyridin-2-ylphenyl)-2-(4-ethylphenoxy)-
SpectraBase Compound ID DCWitzJ8AQg
InChI InChI=1S/C22H18ClN3O3/c1-2-14-5-8-16(9-6-14)28-13-20(27)25-15-7-10-17(18(23)12-15)22-26-21-19(29-22)4-3-11-24-21/h3-12H,2,13H2,1H3,(H,25,27)
InChIKey IAAKZHJWBHCVMN-UHFFFAOYSA-N
Mol Weight 407.86 g/mol
Molecular Formula C22H18ClN3O3
Exact Mass 407.103669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2G2nhZ93zKi
Name Acetamide, N-(3-chloro-4-oxazolo[4,5-B]pyridin-2-ylphenyl)-2-(4-ethylphenoxy)-
Comments Computed using HOSE algorithm
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Exact Mass 407.103669149 u
Formula C22H18ClN3O3
InChI InChI=1S/C22H18ClN3O3/c1-2-14-5-8-16(9-6-14)28-13-20(27)25-15-7-10-17(18(23)12-15)22-26-21-19(29-22)4-3-11-24-21/h3-12H,2,13H2,1H3,(H,25,27)
InChIKey IAAKZHJWBHCVMN-UHFFFAOYSA-N
Molecular Weight 407.857 g/mol
SMILES N(C(=O)COC1=CC=C(C=C1)CC)C=1C=CC(C2=NC=3N=CC=CC3O2)=C(C1)Cl