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(3S,4R,5R)-endo-3-(4-Methyl-5-ethoxycarbonyl-2-phenyloxazolidine-3-yl)benzopyran-4-one
SpectraBase Compound ID 5etGd62DQBF
InChI InChI=1S/C22H21NO5/c1-3-26-22(25)21-14(2)19(23(28-21)15-9-5-4-6-10-15)17-13-27-18-12-8-7-11-16(18)20(17)24/h4-14,19,21H,3H2,1-2H3/t14-,19+,21-/m1/s1
InChIKey UQYWOZYYNOTSBV-XWRIVVANSA-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 EFRtH0PV4z5
Name (3S,4R,5R)-endo-3-(4-Methyl-5-ethoxycarbonyl-2-phenyloxazolidine-3-yl)benzopyran-4-one
Alternate Name(s) (3S,4R,5R)-endo-3-(4-Methyl-5-ethoxycarbonyl-2-phenyl-isooxazolidine-3-yl)benzopyran-4-one endo-3-(4-Methyl-5-ethoxycarbonyl-2-phenyl-isooxazol-3-yl)benzopyran-4-one endo-3-(4-Methyl-5-ethoxycarbonyl-2-phenyloxazol-3-yl)benzopyran-4-one Ethyl (3S,4R,5R)-4-methyl-3-(4-oxo-4H-chromen-3-yl)-2-phenyl-5-isoxazolidinecarboxylate
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Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c1-3-26-22(25)21-14(2)19(23(28-21)15-9-5-4-6-10-15)17-13-27-18-12-8-7-11-16(18)20(17)24/h4-14,19,21H,3H2,1-2H3/t14-,19+,21-/m1/s1
InChIKey UQYWOZYYNOTSBV-XWRIVVANSA-N
Molecular Weight 379.412 g/mol
SMILES C=1([C@]2(N(O[C@]([C@@]2(C)[H])(C(=O)OCC)[H])c2ccccc2)[H])C(c2ccccc2OC1)=O
SPLASH splash10-0pb9-7079000000-a092274efd6dae990ba4
Source of Spectrum F-56-7827-25
Wiley ID 858787