| SpectraBase Spectrum ID |
dQTsQM6pkU |
| Name |
3,3-Diphenyl-2-oxocyclopentanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.115364106 u |
| Formula |
C18H15NO |
| InChI |
InChI=1S/C18H15NO/c19-13-14-11-12-18(17(14)20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-12H2 |
| InChIKey |
RXYJNLXDPIKOPK-UHFFFAOYSA-N |
| Molecular Weight |
261.324 g/mol |
| SMILES |
C=1C(=CC=CC1)C1(CCC(C1=O)C#N)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.99435 |
