| SpectraBase Spectrum ID |
AfsnqxcFjJm |
| Name |
2-(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/c15-9-11-4-2-6-14(17(20)21)13(11)8-10-3-1-5-12(7-10)16(18)19/h1-7H,8H2 |
| InChIKey |
BKGJXUDJOAVPBZ-UHFFFAOYSA-N |
| SMILES |
C(C=1C(=C(C=CC1)[N+](=O)[O-])CC=1C=C(C=CC1)[N+](=O)[O-])#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955856 |
