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exo-6-Methyl-3-(5-ethoxy-2-phenylisoxazolidin-3-yl)benzopyran-4-one
SpectraBase Compound ID FRdTr87PYpX
InChI InChI=1S/C21H21NO4/c1-3-24-20-12-18(22(26-20)15-7-5-4-6-8-15)17-13-25-19-10-9-14(2)11-16(19)21(17)23/h4-11,13,18,20H,3,12H2,1-2H3/t18-,20+/m0/s1
InChIKey BOKPTLQJLKDWAZ-AZUAARDMSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MvM2qW0fXn
Name exo-6-Methyl-3-(5-ethoxy-2-phenylisoxazolidin-3-yl)benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-3-24-20-12-18(22(26-20)15-7-5-4-6-8-15)17-13-25-19-10-9-14(2)11-16(19)21(17)23/h4-11,13,18,20H,3,12H2,1-2H3/t18-,20+/m0/s1
InChIKey BOKPTLQJLKDWAZ-AZUAARDMSA-N
Molecular Weight 351.402 g/mol
SMILES C=1([C@]2(N(O[C@](C2)(OCC)[H])c2ccccc2)[H])C(c2cc(C)ccc2OC1)=O
SPLASH splash10-000i-0970000000-5fa2bf0b450d0e014978
Source of Spectrum F-56-7825-18
Synonyms 3-((3S,5R)-5-Ethoxy-2-phenyl-isoxazolidin-3-yl)-6-methyl-chromen-4-one 3-(5-Ethoxy-2-phenyl-3-isoxazolidinyl)-6-methyl-4H-chromen-4-one exo-6-Methyl-3-(5-ethoxy-2-phenyl-isooxazol-3-yl)benzopyran-4-one exo-6-Methyl-3-(5-ethoxy-2-phenyloxazol-3-yl)benzopyran-4-one 3-[(3S,5R)-5-ethoxy-2-phenyl-3-isoxazolidinyl]-6-methyl-1-benzopyran-4-one 3-[(3S,5R)-5-ethoxy-2-phenyl-1,2-oxazolidin-3-yl]-6-methylchromen-4-one 3-[(3S,5R)-5-ethoxy-2-phenyl-isoxazolidin-3-yl]-6-methyl-chromen-4-one 3-[(3S,5R)-5-ethoxy-2-phenyl-1,2-oxazolidin-3-yl]-6-methyl-chromen-4-one
Wiley ID 858796