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(3S,4R,5S)-3-(4-ketochromen-3-yl)-5-methyl-2-phenyl-isoxazolidine-4-carboxylic acid ethyl ester
SpectraBase Compound ID 9avvkdUpYIR
InChI InChI=1S/C22H21NO5/c1-3-26-22(25)19-14(2)28-23(15-9-5-4-6-10-15)20(19)17-13-27-18-12-8-7-11-16(18)21(17)24/h4-14,19-20H,3H2,1-2H3/t14-,19-,20+/m0/s1
InChIKey WMOXEGQQHJLLIV-PNHOKKKMSA-N
Mol Weight 379.41 g/mol
Molecular Formula C22H21NO5
Exact Mass 379.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5h5cAppLKas
Name (3S,4R,5S)-3-(4-ketochromen-3-yl)-5-methyl-2-phenyl-isoxazolidine-4-carboxylic acid ethyl ester
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Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c1-3-26-22(25)19-14(2)28-23(15-9-5-4-6-10-15)20(19)17-13-27-18-12-8-7-11-16(18)21(17)24/h4-14,19-20H,3H2,1-2H3/t14-,19-,20+/m0/s1
InChIKey WMOXEGQQHJLLIV-PNHOKKKMSA-N
Molecular Weight 379.412 g/mol
SMILES C=1([C@]2(N(O[C@]([C@@]2(C(=O)OCC)[H])(C)[H])c2ccccc2)[H])C(c2ccccc2OC1)=O
SPLASH splash10-0f6t-0090000000-d7096df61de22dde77ed
Source of Spectrum F-56-7827-25
Synonyms (3S,4R,5S)-5-methyl-3-(4-oxo-1-benzopyran-3-yl)-2-phenyl-4-isoxazolidinecarboxylic acid ethyl ester Ethyl (3S,4R,5S)-5-methyl-3-(4-oxidanylidenechromen-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate Ethyl (3S,4R,5S)-5-methyl-3-(4-oxochromen-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate Ethyl (3S,4R,5S)-5-methyl-3-(4-oxochromen-3-yl)-2-phenyl-isoxazolidine-4-carboxylate
Wiley ID 858788