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 |