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

View entire compound with spectra: 1 FTIR, and 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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4atdK0U3okn
Name (4S)-4-Phenyl-1,5-diazonan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.141913207 u
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 C1C(NCCCCN[C@@]1(C1=CC=CC=C1)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887969