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(3S,3aS,6aS)-Tetrahydro-6a-(ethoxycarbonyl)-3-phenyl-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one
SpectraBase Compound ID EUgx1Jq1iXz
InChI InChI=1S/C21H21NO5/c1-2-25-19(23)21-17(14-26-20(21)24)18(16-11-7-4-8-12-16)27-22(21)13-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18+,21-/m0/s1
InChIKey UPTODUKLXJWSAA-UEXGIBASSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H099dMGRWJZ
Name (3S,3aS,6aS)-Tetrahydro-6a-(ethoxycarbonyl)-3-phenyl-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one
Alternate Name(s) (3R*,3aS*,6aR*)-Tetrahydro-6a-(ethoxycarbonyl)-3-phenyl-1-(phenylmethyl)-1H,6H-furo[3,4-c]isoxazol-6-one Ethyl (3S,3aS,6aS)-1-benzyl-6-oxo-3-phenyldihydro-1H,3H-furo[3,4-c]isoxazole-6a(6H)-carboxylate
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Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-2-25-19(23)21-17(14-26-20(21)24)18(16-11-7-4-8-12-16)27-22(21)13-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-,18+,21-/m0/s1
InChIKey UPTODUKLXJWSAA-UEXGIBASSA-N
Molecular Weight 367.401 g/mol
SMILES [C@@]12(N(O[C@@]([C@@]2(COC1=O)[H])(c1ccccc1)[H])Cc1ccccc1)C(=O)OCC
SPLASH splash10-00kf-9405000000-34f5d1e4c30463151aa2
Source of Spectrum F-51-126-9
Wiley ID 790480