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4-Hydroxy-3-[1'-(4"-nitrophenyl)-3'-oxobutyl]-2H-[1]-benzopyran-2-one - Oxime
SpectraBase Compound ID EEjuFQ69bXT
InChI InChI=1S/C19H16N2O6/c1-11(20-24)10-15(12-6-8-13(9-7-12)21(25)26)17-18(22)14-4-2-3-5-16(14)27-19(17)23/h2-9,15,22,24H,10H2,1H3/b20-11-
InChIKey WCNYFEUOARCQEN-JAIQZWGSSA-N
Mol Weight 368.35 g/mol
Molecular Formula C19H16N2O6
Exact Mass 368.100836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwqZznb7J5D
Name 4-Hydroxy-3-[1'-(4""-nitrophenyl)-3'-oxobutyl]-2H-[1]-benzopyran-2-one - oxime
Comments Computed using HOSE algorithm
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Exact Mass 368.100836237 u
Formula C19H16N2O6
InChI InChI=1S/C19H16N2O6/c1-11(20-24)10-15(12-6-8-13(9-7-12)21(25)26)17-18(22)14-4-2-3-5-16(14)27-19(17)23/h2-9,15,22,24H,10H2,1H3/b20-11-
InChIKey WCNYFEUOARCQEN-JAIQZWGSSA-N
Molecular Weight 368.345 g/mol
SMILES C1(=C(C2=CC=CC=C2OC1=O)O)C(C=1C=CC(N(=O)=O)=CC1)C\C(=N/O)C