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(4aRS,10aSR,10bSR)-4,4a,7,8,9,10,10a,10b-octahydro-4,4-dimethoxy-1H-pyrrolo[1,2-b][1,2]benzisoxazol-1-one
SpectraBase Compound ID 6cREItoQnDw
InChI InChI=1S/C13H19NO4/c1-16-13(17-2)7-6-10(15)11-9-5-3-4-8-14(9)18-12(11)13/h6-7,9,11-12H,3-5,8H2,1-2H3/t9-,11+,12+/m1/s1
InChIKey LJRRHIRBSQRXCS-USWWRNFRSA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aFQjX6jKq
Name (4aRS,10aSR,10bSR)-4,4a,7,8,9,10,10a,10b-octahydro-4,4-dimethoxy-1H-pyrrolo[1,2-b][1,2]benzisoxazol-1-one
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Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-16-13(17-2)7-6-10(15)11-9-5-3-4-8-14(9)18-12(11)13/h6-7,9,11-12H,3-5,8H2,1-2H3/t9-,11+,12+/m1/s1
InChIKey LJRRHIRBSQRXCS-USWWRNFRSA-N
Molecular Weight 253.298 g/mol
SMILES [C@@]12([C@@]([C@]3(CCCCN3O2)[H])(C(=O)C=CC1(OC)OC)[H])[H]
SPLASH splash10-0umi-1910000000-4b6d98908e72e4d1bed8
Source of Spectrum J-62-7786-7
Synonyms (4aS,10aR,10bR)-4,4-dimethoxy-7,8,9,10,10a,10b-hexahydro-4aH-pyrido[1,2-b][1,2]benzoxazol-1-one
Wiley ID 1256736