| SpectraBase Spectrum ID |
3trR5csA0Jt |
| Name |
6-(3'-Nitrobenzyl)-3-nitrobenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
283.059305778 u |
| Formula |
C14H9N3O4 |
| InChI |
InChI=1S/C14H9N3O4/c15-9-12-8-14(17(20)21)5-4-11(12)6-10-2-1-3-13(7-10)16(18)19/h1-5,7-8H,6H2 |
| InChIKey |
SXZYRKYLXDBIGC-UHFFFAOYSA-N |
| SMILES |
C(C=1C=C(C=CC1CC=1C=CC=C(C1)[N+]([O-])=O)[N+](=O)[O-])#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926372 |
