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(1S,3S,6S)-3-isopropyl-5-keto-6-methyl-7-azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester
SpectraBase Compound ID B4sqmgWEuEJ
InChI InChI=1S/C13H21NO3/c1-5-17-12(16)14-10-6-9(8(2)3)7-11(15)13(10,14)4/h8-10H,5-7H2,1-4H3/t9-,10-,13-,14?/m0/s1
InChIKey FSWULSMLJXIZCR-VAOLOKNGSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gyx8EhNBqon
Name (1S,3S,6S)-3-isopropyl-5-keto-6-methyl-7-azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester
Alternate Name(s) (1S,3S,6S)-6-methyl-5-oxo-3-propan-2-yl-7-azabicyclo[4.1.0]heptane-7-carboxylic acid ethyl ester Ethyl (1S,3S,6S)-3-isopropyl-6-methyl-5-oxo-7-azabicyclo[4.1.0]heptane-7-carboxylate Ethyl (1S,3S,6S)-6-methyl-5-oxidanylidene-3-propan-2-yl-7-azabicyclo[4.1.0]heptane-7-carboxylate Ethyl (1S,3S,6S)-6-methyl-5-oxo-3-propan-2-yl-7-azabicyclo[4.1.0]heptane-7-carboxylate
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Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-5-17-12(16)14-10-6-9(8(2)3)7-11(15)13(10,14)4/h8-10H,5-7H2,1-4H3/t9-,10-,13-,14?/m0/s1
InChIKey FSWULSMLJXIZCR-VAOLOKNGSA-N
Molecular Weight 239.315 g/mol
SMILES [C@]12(N(C(=O)OCC)[C@]2(C[C@@](CC1=O)(C(C)C)[H])[H])C
SPLASH splash10-00mo-9300000000-230689fb68090969ddd9
Source of Spectrum F-54-14110-5
Wiley ID 809709