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acetonitrile, [[(2Z)-2-[(4-ethoxyphenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl]oxy]-
SpectraBase Compound ID 9kElu0FTfDW
InChI InChI=1S/C19H15NO4/c1-2-22-14-5-3-13(4-6-14)11-18-19(21)16-8-7-15(23-10-9-20)12-17(16)24-18/h3-8,11-12H,2,10H2,1H3/b18-11-
InChIKey YMHFSTXBWOOZMT-WQRHYEAKSA-N
Mol Weight 321.33 g/mol
Molecular Formula C19H15NO4
Exact Mass 321.100108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5ivyryNasR
Name Acetonitrile, [[(2Z)-2-[(4-ethoxyphenyl)methylene]-2,3-dihydro-3-oxobenzofuranyl]oxy]-
Comments Computed using HOSE algorithm
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Exact Mass 321.100107963 u
Formula C19H15NO4
InChI InChI=1S/C19H15NO4/c1-2-22-14-5-3-13(4-6-14)11-18-19(21)16-8-7-15(23-10-9-20)12-17(16)24-18/h3-8,11-12H,2,10H2,1H3/b18-11-
InChIKey YMHFSTXBWOOZMT-WQRHYEAKSA-N
Molecular Weight 321.332 g/mol
SMILES C1(\C(OC2=CC(=CC=C12)OCC#N)=C\C1=CC=C(C=C1)OCC)=O