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(1S,2R,3R,6R)-2-Benzoylamino-3-methyl-5-oxo-bicyclo[4.1.0]heptane-2-carboxylic acid methyl ester
SpectraBase Compound ID FkdE88EXWbF
InChI InChI=1S/C17H19NO4/c1-10-8-14(19)12-9-13(12)17(10,16(21)22-2)18-15(20)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,18,20)/t10-,12-,13+,17-/m1/s1
InChIKey SEBINPFDBCTEDY-MMPOEDRJSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fuA2NoFSVM
Name (1S,2R,3R,6R)-2-Benzoylamino-3-methyl-5-oxo-bicyclo[4.1.0]heptane-2-carboxylic acid methyl ester
Alternate Name(s) (1R*,2R,3R,6S*)-2-Benzoylamino-3-methyl-6-methoxycarbonylbicyclo[4.1.0]heptan-5-one Methyl (1S,2R,3R,6R)-2-(benzoylamino)-3-methyl-5-oxobicyclo[4.1.0]heptane-2-carboxylate
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Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-10-8-14(19)12-9-13(12)17(10,16(21)22-2)18-15(20)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,18,20)/t10-,12-,13+,17-/m1/s1
InChIKey SEBINPFDBCTEDY-MMPOEDRJSA-N
Molecular Weight 301.342 g/mol
SMILES N([C@]1([C@@]2([C@@](C(C[C@]1(C)[H])=O)([H])C2)[H])C(=O)OC)C(=O)c1ccccc1
SPLASH splash10-0bt9-3960000000-cf4688c536785d5b71cc
Source of Spectrum KC-57-1033-25
Wiley ID 1622740