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(4S)-4-phenyl-1,5-diazonan-2-one

View entire compound with spectra: 3 MS (GC)

(4S)-4-phenyl-1,5-diazonan-2-one
SpectraBase Compound ID BTGLRjh5mZ4
InChI InChI=1S/C13H18N2O/c16-13-10-12(11-6-2-1-3-7-11)14-8-4-5-9-15-13/h1-3,6-7,12,14H,4-5,8-10H2,(H,15,16)/t12-/m0/s1
InChIKey KJAKZNQHLRZRQW-LBPRGKRZSA-N
Mol Weight 218.3 g/mol
Molecular Formula C13H18N2O
Exact Mass 218.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQWNloOtQax
Name (4S)-4-phenyl-1,5-diazonan-2-one
Alternate Name(s) 4-Phenyl-1,5-diazacyclononan-2-one (S)-4-Phenyl-[1,5]diazonan-2-one 3-Phenyl-4-azaoctanelactam 4-Phenyloctahydro-2H-1,5-diazonin-2-one
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Formula C13H18N2O
InChI InChI=1S/C13H18N2O/c16-13-10-12(11-6-2-1-3-7-11)14-8-4-5-9-15-13/h1-3,6-7,12,14H,4-5,8-10H2,(H,15,16)/t12-/m0/s1
InChIKey KJAKZNQHLRZRQW-LBPRGKRZSA-N
Molecular Weight 218.300 g/mol
SMILES N1CCCCN[C@@](CC1=O)(c1ccccc1)[H]
SPLASH splash10-0a6r-6900000000-3d415d5ec6f290ffba73
Source of Spectrum K-2001-2928-7
Wiley ID 1579993