| SpectraBase Spectrum ID |
Gocxqsyi01e |
| Name |
2-(2,6-Dibromo-4-nitrophenoxy)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.858867994 u |
| Formula |
C8H4Br2N2O3 |
| InChI |
InChI=1S/C8H4Br2N2O3/c9-6-3-5(12(13)14)4-7(10)8(6)15-2-1-11/h3-4H,2H2 |
| InChIKey |
KNKHMLWAWGGBHX-UHFFFAOYSA-N |
| Molecular Weight |
335.939 g/mol |
| SMILES |
C1(Br)=CC(N(=O)=O)=CC(Br)=C1OCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800298 |
