| SpectraBase Spectrum ID |
CLgRGTs0GYX |
| Name |
(4-Bromo-2-fluorophenyl)methanamine, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.985155076 u |
| Formula |
C9H9BrFNO |
| InChI |
InChI=1S/C9H9BrFNO/c1-6(13)12-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3,(H,12,13) |
| InChIKey |
UONAYJNCPZDKEW-UHFFFAOYSA-N |
| Molecular Weight |
246.079 g/mol |
| SMILES |
C1(F)=C(C=CC(=C1)Br)CNC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952924 |