| SpectraBase Spectrum ID |
2mBMHrP5C0X |
| Name |
3-Bromo-2-fluorobenzamide, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.964419630 u |
| Formula |
C9H7BrFNO2 |
| InChI |
InChI=1S/C9H7BrFNO2/c1-5(13)12-9(14)6-3-2-4-7(10)8(6)11/h2-4H,1H3,(H,12,13,14) |
| InChIKey |
ROYDNDDBBGWTSR-UHFFFAOYSA-N |
| Molecular Weight |
260.062 g/mol |
| SMILES |
C1(F)=C(C=CC=C1C(=O)NC(C)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967098 |
