| SpectraBase Spectrum ID |
HYcIxj6Pq4T |
| Name |
4-Bromo-2-fluoro-5-nitrophenol, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.938598804 u |
| Formula |
C8H5BrFNO4 |
| InChI |
InChI=1S/C8H5BrFNO4/c1-4(12)15-8-3-7(11(13)14)5(9)2-6(8)10/h2-3H,1H3 |
| InChIKey |
ADROQCGVLHWHJA-UHFFFAOYSA-N |
| Molecular Weight |
278.033 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)N(=O)=O)Br)F)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964033 |
