| SpectraBase Spectrum ID |
H12rJvXkDxX |
| Name |
4-Benzyl-3-nitrobenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.074227568 u |
| Formula |
C14H10N2O2 |
| InChI |
InChI=1S/C14H10N2O2/c15-10-12-6-7-13(14(9-12)16(17)18)8-11-4-2-1-3-5-11/h1-7,9H,8H2 |
| InChIKey |
LUGXRRVAZCLVBD-UHFFFAOYSA-N |
| Molecular Weight |
238.246 g/mol |
| SMILES |
C(C=1C=C(C(=CC1)CC=1C=CC=CC1)[N+](=O)[O-])#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871399 |
