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rac-Methyl 6-Acetoxy-7-(methoxymethoxy)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
SpectraBase Compound ID 8RTFsWlTblg
InChI InChI=1S/C13H19NO7/c1-7(15)21-12-10-5-8(16)4-9(11(12)20-6-18-2)14(10)13(17)19-3/h9-12H,4-6H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKey KBJANJMLJWKTHG-WHOHXGKFSA-N
Mol Weight 301.3 g/mol
Molecular Formula C13H19NO7
Exact Mass 301.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TuNO9mK3c
Name rac-Methyl 6-Acetoxy-7-(methoxymethoxy)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
Alternate Name(s) Methyl (1S,5R,6R,7S)-6-acetoxy-7-(methoxymethoxy)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
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Formula C13H19NO7
InChI InChI=1S/C13H19NO7/c1-7(15)21-12-10-5-8(16)4-9(11(12)20-6-18-2)14(10)13(17)19-3/h9-12H,4-6H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKey KBJANJMLJWKTHG-WHOHXGKFSA-N
Literature Reference DOI 10.1002/hlca.200790206
Molecular Weight 301.295 g/mol
SMILES [C@]12(CC(C[C@]([C@]([C@]2(OCOC)[H])(OC(=O)C)[H])(N1C(OC)=O)[H])=O)[H]
SPLASH splash10-0f6t-6930000000-f9e4c462e0ca8cbd7ebf
Source of Spectrum H-90-1995-rac_6d
Wiley ID 1785696