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2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile

View entire compound with spectra: 2 NMR

2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile
SpectraBase Compound ID Dr6wO6omIY
InChI InChI=1S/C18H13NO5/c1-21-12-2-4-13(5-3-12)24-17-11-23-16-10-14(22-9-8-19)6-7-15(16)18(17)20/h2-7,10-11H,9H2,1H3
InChIKey NTKVQLGDIZWMNC-UHFFFAOYSA-N
Mol Weight 323.3 g/mol
Molecular Formula C18H13NO5
Exact Mass 323.079373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6L2pEIiDKm
Name 2-{[3-(4-Methoxyphenoxy)-4-oxochromen-7-yl]oxy}acetonitrile
Comments Computed using HOSE algorithm
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Exact Mass 323.079372518 u
Formula C18H13NO5
InChI InChI=1S/C18H13NO5/c1-21-12-2-4-13(5-3-12)24-17-11-23-16-10-14(22-9-8-19)6-7-15(16)18(17)20/h2-7,10-11H,9H2,1H3
InChIKey NTKVQLGDIZWMNC-UHFFFAOYSA-N
Molecular Weight 323.304 g/mol
SMILES C=1(C(C2=CC=C(C=C2OC1)OCC#N)=O)OC=1C=CC(OC)=CC1