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4-Hydroxy-3-[1'-phenyl-3'-oxobutyl]-2H-[1]-benzopyran-2-one - oxime
SpectraBase Compound ID 7kBDg6WsGHD
InChI InChI=1S/C19H17NO4/c1-12(20-23)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)24-19(17)22/h2-10,15,21,23H,11H2,1H3/b20-12+
InChIKey MJTNJRLGWGUYMY-UDWIEESQSA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpteS8TUUOn
Name 4-Hydroxy-3-[1'-phenyl-3'-oxobutyl]-2H-[1]-benzopyran-2-one - oxime
Comments Computed using HOSE algorithm
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Exact Mass 323.115758027 u
Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c1-12(20-23)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)24-19(17)22/h2-10,15,21,23H,11H2,1H3/b20-12+
InChIKey MJTNJRLGWGUYMY-UDWIEESQSA-N
Molecular Weight 323.348 g/mol
SMILES C1(=C(C2=CC=CC=C2OC1=O)O)C(C\C(=N\O)C)C1=CC=CC=C1