| SpectraBase Spectrum ID |
5PioiZoGMWN |
| Name |
2-(4-Bromophenoxy)-5-nitrobenzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.964005090 u |
| Formula |
C13H7BrN2O3 |
| InChI |
InChI=1S/C13H7BrN2O3/c14-10-1-4-12(5-2-10)19-13-6-3-11(16(17)18)7-9(13)8-15/h1-7H |
| InChIKey |
XXYYTKATSBRQRD-UHFFFAOYSA-N |
| Molecular Weight |
319.114 g/mol |
| SMILES |
C1(Br)=CC=C(C=C1)OC1=C(C=C(C=C1)N(=O)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907929 |
