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exo-6-Ethylsulfonyl-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-4(6H)-one
SpectraBase Compound ID 3fgb3XBNHaI
InChI InChI=1S/C13H13NO5S/c1-2-20(16,17)13-11-9(12(15)18-13)10(14-19-11)8-6-4-3-5-7-8/h3-7,9,11,13H,2H2,1H3/t9-,11+,13-/m0/s1
InChIKey KPZFHMGLBLWVCS-NDMJEZRESA-N
Mol Weight 295.31 g/mol
Molecular Formula C13H13NO5S
Exact Mass 295.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lyLyFjDQI3
Name exo-6-Ethylsulfonyl-3-phenyl-6a,3a-dihydrofuro[3,4-d]isoxazole-4(6H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H13NO5S
InChI InChI=1S/C13H13NO5S/c1-2-20(16,17)13-11-9(12(15)18-13)10(14-19-11)8-6-4-3-5-7-8/h3-7,9,11,13H,2H2,1H3/t9-,11+,13-/m0/s1
InChIKey KPZFHMGLBLWVCS-NDMJEZRESA-N
Molecular Weight 295.309 g/mol
SMILES [C@]1([C@]2([C@@](C(c3ccccc3)=NO2)([H])C(O1)=O)[H])(S(=O)(=O)CC)[H]
SPLASH splash10-004i-9000000000-3ff6d260a6842fc5e363
Source of Spectrum F-52-3467-17
Synonyms (3aS,6S,6aR)-6-Ethanesulfonyl-3-phenyl-6,6a-dihydro-3aH-furo[3,4-d]isoxazol-4-one 6-(ethylsulfonyl)-3-phenyl-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
Wiley ID 795756