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exo-3-[5-Methyl-5-methoxycarbonyl-2-phenyloxazol-3-yl]benzopyran-4-one
SpectraBase Compound ID He2zh3GUV7z
InChI InChI=1S/C21H19NO5/c1-21(20(24)25-2)12-17(22(27-21)14-8-4-3-5-9-14)16-13-26-18-11-7-6-10-15(18)19(16)23/h3-11,13,17H,12H2,1-2H3/t17-,21-/m0/s1
InChIKey NBDRYKQYKAPNIM-UWJYYQICSA-N
Mol Weight 365.39 g/mol
Molecular Formula C21H19NO5
Exact Mass 365.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkKjudxvIpa
Name exo-3-[5-Methyl-5-methoxycarbonyl-2-phenyloxazol-3-yl]benzopyran-4-one
Alternate Name(s) (3S,5S)-5-Methyl-3-(4-oxo-4H-chromen-3-yl)-2-phenyl-isoxazolidine-5-carboxylic acid methyl ester exo-3-[5-Methyl-5-methoxycarbonyl-2-phenyl-isooxazol-3-yl]benzopyran-4-one (3S,5S)-5-methyl-3-(4-oxo-1-benzopyran-3-yl)-2-phenyl-5-isoxazolidinecarboxylic acid methyl ester Methyl (3S,5S)-5-methyl-3-(4-oxochromen-3-yl)-2-phenyl-1,2-oxazolidine-5-carboxylate Methyl (3S,5S)-5-methyl-3-(4-oxochromen-3-yl)-2-phenyl-isoxazolidine-5-carboxylate Methyl (3S,5S)-5-methyl-3-(4-oxidanylidenechromen-3-yl)-2-phenyl-1,2-oxazolidine-5-carboxylate
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Formula C21H19NO5
InChI InChI=1S/C21H19NO5/c1-21(20(24)25-2)12-17(22(27-21)14-8-4-3-5-9-14)16-13-26-18-11-7-6-10-15(18)19(16)23/h3-11,13,17H,12H2,1-2H3/t17-,21-/m0/s1
InChIKey NBDRYKQYKAPNIM-UWJYYQICSA-N
Molecular Weight 365.385 g/mol
SMILES C=1([C@]2(N(O[C@@](C2)(C(=O)OC)C)c2ccccc2)[H])C(c2ccccc2OC1)=O
SPLASH splash10-03di-0095000000-83df39e02716c08c5214
Source of Spectrum F-56-7826-24
Wiley ID 858789