| SpectraBase Spectrum ID |
B5ufuKYa7eZ |
| Name |
2,2-Difluoro-2-(3-phenylphenyl)-acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.070305620 u |
| Formula |
C14H9F2N |
| InChI |
InChI=1S/C14H9F2N/c15-14(16,10-17)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-9H |
| InChIKey |
QCJQFXYOWPPMDE-UHFFFAOYSA-N |
| Molecular Weight |
229.230 g/mol |
| SMILES |
C(F)(C=1C=CC=C(C2=CC=CC=C2)C1)(F)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889905 |
