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(5.beta.)-N-Benzoyl-1.beta,-(2-oxohexanyl)-3-azabicyclo[3.1.0]hexane
SpectraBase Compound ID 3DtYnc2QEhO
InChI InChI=1S/C18H23NO2/c1-2-3-9-16(20)11-18-10-15(18)12-19(13-18)17(21)14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3/t15-,18-/m0/s1
InChIKey IKPZMZBYKQOXQO-YJBOKZPZSA-N
Mol Weight 285.39 g/mol
Molecular Formula C18H23NO2
Exact Mass 285.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CG0O9ibdrTA
Name (5.beta.)-N-Benzoyl-1.beta,-(2-oxohexanyl)-3-azabicyclo[3.1.0]hexane
Alternate Name(s) 1-[(1R,5R)-3-benzoyl-3-azabicyclo[3.1.0]hex-1-yl]-2-hexanone
Comments Less than 3 mono-isotopic peaks
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Formula C18H23NO2
InChI InChI=1S/C18H23NO2/c1-2-3-9-16(20)11-18-10-15(18)12-19(13-18)17(21)14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3/t15-,18-/m0/s1
InChIKey IKPZMZBYKQOXQO-YJBOKZPZSA-N
Molecular Weight 285.387 g/mol
SMILES [C@]12([C@@](CN(C2)C(=O)c2ccccc2)([H])C1)CC(=O)CCCC
SPLASH splash10-0a4i-0900000000-840c8140b2c99e301067
Source of Spectrum J-61-2272-16
Wiley ID 1289147