SpectraBase Spectrum ID |
7aCglYYLo68 |
Name |
1-(5-Bromo-2-fluorophenyl)piperidin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
271.000805140 u |
Formula |
C11H11BrFNO |
InChI |
InChI=1S/C11H11BrFNO/c12-8-4-5-9(13)10(7-8)14-6-2-1-3-11(14)15/h4-5,7H,1-3,6H2 |
InChIKey |
NIQQIWOAWGBHOH-UHFFFAOYSA-N |
Molecular Weight |
272.117 g/mol |
SMILES |
C1(Br)=CC=C(F)C(=C1)N1C(=O)CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926984 |