SpectraBase Spectrum ID |
3lGqyRVYn07 |
Name |
2-Amino-N-(4-bromo-2-fluorophenyl)acetamide, N-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
287.990968731 u |
Formula |
C10H10BrFN2O2 |
InChI |
InChI=1S/C10H10BrFN2O2/c1-6(15)13-5-10(16)14-9-3-2-7(11)4-8(9)12/h2-4H,5H2,1H3,(H,13,15)(H,14,16) |
InChIKey |
LCBVPIUCZRJSPU-UHFFFAOYSA-N |
Molecular Weight |
289.104 g/mol |
SMILES |
C(NC1=C(F)C=C(C=C1)Br)(CNC(C)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976672 |