SpectraBase Spectrum ID |
KC9MhcQ5ag9 |
Name |
4-Bromo-2-fluoro-N-isopropylbenzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.000805140 u |
Formula |
C10H11BrFNO |
InChI |
InChI=1S/C10H11BrFNO/c1-6(2)13-10(14)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3,(H,13,14) |
InChIKey |
OVZFSVKPKOLFRT-UHFFFAOYSA-N |
Molecular Weight |
260.106 g/mol |
SMILES |
C1(F)=C(C=CC(=C1)Br)C(=O)NC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9572 |