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Piperidine, 1-[(4-bromo-2-fluorophenyl)methyl]-

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Piperidine, 1-[(4-bromo-2-fluorophenyl)methyl]-
SpectraBase Compound ID 5Z8nhDTMoOD
InChI InChI=1S/C12H15BrFN/c13-11-5-4-10(12(14)8-11)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKey VMTBRQBFFSSMLS-UHFFFAOYSA-N
Mol Weight 272.16 g/mol
Molecular Formula C12H15BrFN
Exact Mass 271.037191 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E8FGNQjmPf9
Name Piperidine, 1-[(4-bromo-2-fluorophenyl)methyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.037190650 u
Formula C12H15BrFN
InChI InChI=1S/C12H15BrFN/c13-11-5-4-10(12(14)8-11)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2
InChIKey VMTBRQBFFSSMLS-UHFFFAOYSA-N
Molecular Weight 272.161 g/mol
SMILES C1N(CCCC1)CC1=C(C=C(C=C1)Br)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85398