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3-Phenyl-4-azaoctanelactam

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Phenyl-4-azaoctanelactam
SpectraBase Compound ID 3QfFq9X80JN
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)
InChIKey KJAKZNQHLRZRQW-UHFFFAOYSA-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 63K2f7sGeJa
Name 3-Phenyl-4-azaoctanelactam
Alternate Name(s) 4-Phenyl-1,5-diazacyclononan-2-one 4-Phenyloctahydro-2H-1,5-diazonin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)
InChIKey KJAKZNQHLRZRQW-UHFFFAOYSA-N
Molecular Weight 218.300 g/mol
SMILES N1CCCCNC(CC1=O)c1ccccc1
SPLASH splash10-0gb9-2920000000-b46ed15ef2e465c827d2
Source of Spectrum F-48-3779-6
Wiley ID 1217853