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Ethyl 2-[(R)-1-azabicyclo[3.1.0]hexane-2-ylidene]-2-[(S)-2-benzoyloxy-3-methylbutanoylamino]acetate
SpectraBase Compound ID HbJDnqVNnGB
InChI InChI=1S/C21H26N2O5/c1-4-27-21(26)17(16-11-10-15-12-23(15)16)22-19(24)18(13(2)3)28-20(25)14-8-6-5-7-9-14/h5-9,13,15,18H,4,10-12H2,1-3H3,(H,22,24)/b17-16+/t15-,18+,23?/m1/s1
InChIKey OTGMVEKDACXRIK-AGFNYETMSA-N
Mol Weight 386.45 g/mol
Molecular Formula C21H26N2O5
Exact Mass 386.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKl3aO55USo
Name Ethyl 2-[(R)-1-azabicyclo[3.1.0]hexane-2-ylidene]-2-[(S)-2-benzoyloxy-3-methylbutanoylamino]acetate
Comments Less than 3 mono-isotopic peaks
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Formula C21H26N2O5
InChI InChI=1S/C21H26N2O5/c1-4-27-21(26)17(16-11-10-15-12-23(15)16)22-19(24)18(13(2)3)28-20(25)14-8-6-5-7-9-14/h5-9,13,15,18H,4,10-12H2,1-3H3,(H,22,24)/b17-16+/t15-,18+,23?/m1/s1
InChIKey OTGMVEKDACXRIK-AGFNYETMSA-N
Molecular Weight 386.448 g/mol
SMILES N(\C(=C/1N2C[C@]2(CC1)[H])C(=O)OCC)C([C@@](OC(=O)c1ccccc1)(C(C)C)[H])=O
SPLASH splash10-0a4i-0900000000-18103045252bb80114f9
Source of Spectrum F-59-3095-24
Wiley ID 1677920