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N-[alpha-(2-oxo-2H-1-benzopyran-3-yl)benzyl)malonamic acid, ethyl ester
SpectraBase Compound ID Lph0UZpZ18j
InChI InChI=1S/C21H19NO5/c1-2-26-19(24)13-18(23)22-20(14-8-4-3-5-9-14)16-12-15-10-6-7-11-17(15)27-21(16)25/h3-12,20H,2,13H2,1H3,(H,22,23)
InChIKey NCBGIQFANLMTKM-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C21H19NO5
Exact Mass 365.126323 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5HtEPy1Vwz
Name N-[alpha-(2-oxo-2H-1-benzopyran-3-yl)benzyl)malonamic acid, ethyl ester
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Formula C21H19NO5
InChI InChI=1S/C21H19NO5/c1-2-26-19(24)13-18(23)22-20(14-8-4-3-5-9-14)16-12-15-10-6-7-11-17(15)27-21(16)25/h3-12,20H,2,13H2,1H3,(H,22,23)
InChIKey NCBGIQFANLMTKM-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 47039M
Solvent CDCl3