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

*Links on SpectraBase are not permalinks.
6,6-Dicyano-3-oxo-5-phenylcyclohex-1-ene-1-carboxamide
SpectraBase Compound ID HcCfQmKiqI2
InChI InChI=1S/C15H11N3O2/c16-8-15(9-17)12(10-4-2-1-3-5-10)6-11(19)7-13(15)14(18)20/h1-5,7,12H,6H2,(H2,18,20)
InChIKey AOPZEOQQSDJHFE-UHFFFAOYSA-N
Mol Weight 265.27 g/mol
Molecular Formula C15H11N3O2
Exact Mass 265.085127 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 2RUbHiNrjHY
Name 6,6-Dicyano-3-oxo-5-phenylcyclohex-1-ene-1-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 265.085126604 u
Formula C15H11N3O2
InChI InChI=1S/C15H11N3O2/c16-8-15(9-17)12(10-4-2-1-3-5-10)6-11(19)7-13(15)14(18)20/h1-5,7,12H,6H2,(H2,18,20)
InChIKey AOPZEOQQSDJHFE-UHFFFAOYSA-N
Molecular Weight 265.272 g/mol
SMILES C1(=CC=CC=C1)C1C(C(C(N)=O)=CC(C1)=O)(C#N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875609