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Ethyl (3aR,6R,7R,7aS)-7-(acetylamino)-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetra-hydro-1,3-benzodioxole-4-carboxylate
SpectraBase Compound ID J87cRykLRZo
InChI InChI=1S/C14H21NO6/c1-5-19-13(18)8-6-9(17)10(15-7(2)16)12-11(8)20-14(3,4)21-12/h6,9-12,17H,5H2,1-4H3,(H,15,16)/t9-,10-,11-,12+/m1/s1
InChIKey PVYKYHWFOWSYJW-KKOKHZNYSA-N
Mol Weight 299.32 g/mol
Molecular Formula C14H21NO6
Exact Mass 299.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I10y8LtWc3H
Name Ethyl (3aR,6R,7R,7aS)-7-(acetylamino)-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetra-hydro-1,3-benzodioxole-4-carboxylate
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Formula C14H21NO6
InChI InChI=1S/C14H21NO6/c1-5-19-13(18)8-6-9(17)10(15-7(2)16)12-11(8)20-14(3,4)21-12/h6,9-12,17H,5H2,1-4H3,(H,15,16)/t9-,10-,11-,12+/m1/s1
InChIKey PVYKYHWFOWSYJW-KKOKHZNYSA-N
Molecular Weight 299.323 g/mol
SMILES O[C@]1([C@]([C@]2([C@@](C(=C1)C(=O)OCC)(OC(O2)(C)C)[H])[H])(NC(=O)C)[H])[H]
SPLASH splash10-0006-9110000000-552c71959fdbcf819534
Source of Spectrum F-66-3768-6
Synonyms Ethyl (3aR,6R,7R,7aS)-7-acetamido-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate Ethyl (3aR,6R,7R,7aS)-7-acetamido-2,2-dimethyl-6-oxidanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
Wiley ID 1685403