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acetic acid, [3-[(Z)-(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]phenoxy]-, ethyl ester
SpectraBase Compound ID KCYql3wCrcN
InChI InChI=1S/C20H17NO5/c1-2-24-18(22)13-25-16-10-6-7-14(11-16)12-17-20(23)26-19(21-17)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3/b17-12-
InChIKey RGKLLNPXSMILHF-ATVHPVEESA-N
Mol Weight 351.36 g/mol
Molecular Formula C20H17NO5
Exact Mass 351.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8D68d8a5dxE
Name Acetic acid, [3-[(Z)-(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]phenoxy]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 351.110672646 u
Formula C20H17NO5
InChI InChI=1S/C20H17NO5/c1-2-24-18(22)13-25-16-10-6-7-14(11-16)12-17-20(23)26-19(21-17)15-8-4-3-5-9-15/h3-12H,2,13H2,1H3/b17-12-
InChIKey RGKLLNPXSMILHF-ATVHPVEESA-N
Molecular Weight 351.358 g/mol
SMILES C1=CC=C(C2=N\C(C(=O)O2)=C\C=2C=C(OCC(=O)OCC)C=CC2)C=C1