| SpectraBase Spectrum ID |
KYhhGFqTm1e |
| Name |
2-Fluoro-4-(3'-nitrobenzyl)-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.054634937 u |
| Formula |
C13H9FN2O4 |
| InChI |
InChI=1S/C13H9FN2O4/c14-12-8-10(4-5-13(12)16(19)20)6-9-2-1-3-11(7-9)15(17)18/h1-5,7-8H,6H2 |
| InChIKey |
IRRPYSWQOICCKK-UHFFFAOYSA-N |
| Molecular Weight |
276.223 g/mol |
| SMILES |
C=1(C(=CC(=CC1)CC=1C=C(C=CC1)[N+](=O)[O-])F)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96641 |
