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(3'aR,5S,7'aS)-2'-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)spiro[2-isoxazoline-5,7'-3a,7a-dihydro-1,3-benzodioxole]-4'-one
SpectraBase Compound ID DYNwTK4cH8F
InChI InChI=1S/C22H24N2O6/c1-27-15-7-5-14(6-8-15)21-28-18-17(25)9-10-22(19(18)29-21)13-16(23-30-22)20(26)24-11-3-2-4-12-24/h5-10,18-19,21H,2-4,11-13H2,1H3/t18-,19-,21?,22+/m0/s1
InChIKey NRDMWAGMXWSTEA-GEGUIERTSA-N
Mol Weight 412.44 g/mol
Molecular Formula C22H24N2O6
Exact Mass 412.163436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UlgDWTWFk4
Name (3'aR,5S,7'aS)-2'-(4-methoxyphenyl)-3-(piperidine-1-carbonyl)spiro[2-isoxazoline-5,7'-3a,7a-dihydro-1,3-benzodioxole]-4'-one
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Formula C22H24N2O6
InChI InChI=1S/C22H24N2O6/c1-27-15-7-5-14(6-8-15)21-28-18-17(25)9-10-22(19(18)29-21)13-16(23-30-22)20(26)24-11-3-2-4-12-24/h5-10,18-19,21H,2-4,11-13H2,1H3/t18-,19-,21?,22+/m0/s1
InChIKey NRDMWAGMXWSTEA-GEGUIERTSA-N
Molecular Weight 412.442 g/mol
SMILES [C@]12([C@@]3([C@@](OC(O3)c3ccc(cc3)OC)(C(C=C2)=O)[H])[H])ON=C(C1)C(N1CCCCC1)=O
SPLASH splash10-03er-5912000000-d844d6a4276645bed9c0
Source of Spectrum F-56-4179-18
Synonyms (3aR,7S,7aS)-2-(4-methoxyphenyl)-3'-(piperidine-1-carbonyl)spiro[3a,7a-dihydro-1,3-benzodioxole-7,5'-4H-1,2-oxazole]-4-one (3aR,7S,7aS)-2-(4-methoxyphenyl)-3'-(piperidine-1-carbonyl)spiro[3a,7a-dihydro-1,3-benzodioxole-7,5'-4H-isoxazole]-4-one (3aR,7S,7aS)-2-(4-methoxyphenyl)-3'-piperidin-1-ylcarbonyl-spiro[3a,7a-dihydro-1,3-benzodioxole-7,5'-4H-1,2-oxazole]-4-one (3aR,7S,7aS)-2-(4-methoxyphenyl)-3'-[oxo(1-piperidinyl)methyl]-4-spiro[3a,7a-dihydro-1,3-benzodioxole-7,5'-4H-isoxazole]one
Wiley ID 857381