For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-Cyano-2-oxo-5-phenyl-perhydroazepine

View entire compound with spectra: 1 FTIR

5-Cyano-2-oxo-5-phenyl-perhydroazepine
SpectraBase Compound ID DnrB1Y1IKue
InChI InChI=1S/C13H14N2O/c14-10-13(11-4-2-1-3-5-11)7-6-12(16)15-9-8-13/h1-5H,6-9H2,(H,15,16)
InChIKey MCKGQLXUPMSYJR-UHFFFAOYSA-N
Mol Weight 214.27 g/mol
Molecular Formula C13H14N2O
Exact Mass 214.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7AJ6Gx9XeLF
Name 5-Cyano-2-oxo-5-phenyl-perhydroazepine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.110613078 u
Formula C13H14N2O
InChI InChI=1S/C13H14N2O/c14-10-13(11-4-2-1-3-5-11)7-6-12(16)15-9-8-13/h1-5H,6-9H2,(H,15,16)
InChIKey MCKGQLXUPMSYJR-UHFFFAOYSA-N
Molecular Weight 214.268 g/mol
SMILES C1CNC(CCC1(C#N)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908606