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1-(5-Bromo-2-fluorophenyl)piperidin-2-one
SpectraBase Compound ID AEyU5tJiKJC
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
Mol Weight 272.12 g/mol
Molecular Formula C11H11BrFNO
Exact Mass 271.000805 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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