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(1R*,2S*,5S*)-(+/-)-ACETOXY-3-OXO-8-AZA-BICYCLO-[3.2.1]-OCTANE-8-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 5Ppju7GVHPY
InChI InChI=1S/C12H17NO5/c1-3-17-12(16)13-8-4-5-9(13)11(10(15)6-8)18-7(2)14/h8-9,11H,3-6H2,1-2H3/t8-,9+,11-/m0/s1
InChIKey VACQZFBYEVXMSR-NGZCFLSTSA-N
Mol Weight 255.27 g/mol
Molecular Formula C12H17NO5
Exact Mass 255.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DW7yl2Kjjhq
Name (1S,4S,5R)-4-acetoxy-3-keto-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester
Alternate Name(s) (1S,4S,5R)-4-acetyloxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Ethyl (1S,4S,5R)-4-acetoxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate Ethyl (1S,4S,5R)-4-acetyloxy-3-oxidanylidene-8-azabicyclo[3.2.1]octane-8-carboxylate Ethyl (1S,4S,5R)-4-acetyloxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
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Formula C12H17NO5
InChI InChI=1S/C12H17NO5/c1-3-17-12(16)13-8-4-5-9(13)11(10(15)6-8)18-7(2)14/h8-9,11H,3-6H2,1-2H3/t8-,9+,11-/m0/s1
InChIKey VACQZFBYEVXMSR-NGZCFLSTSA-N
Molecular Weight 255.270 g/mol
SMILES [C@]12(N([C@](CC([C@]2(OC(=O)C)[H])=O)(CC1)[H])C(=O)OCC)[H]
SPLASH splash10-01ot-0950000000-259202a08d8a47b90ff6
Source of Spectrum F-67-8617-11
Wiley ID 1571312