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1-(3-Bromo-4-methylphenyl)piperidine

View entire compound with spectra: 1 FTIR

1-(3-Bromo-4-methylphenyl)piperidine
SpectraBase Compound ID FJjw7ycPLf9
InChI InChI=1S/C12H16BrN/c1-10-5-6-11(9-12(10)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKey NYLCUCRPNIVCSQ-UHFFFAOYSA-N
Mol Weight 254.17 g/mol
Molecular Formula C12H16BrN
Exact Mass 253.046613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ATJ5XCUXEcU
Name 1-(3-Bromo-4-methylphenyl)piperidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.046612519 u
Formula C12H16BrN
InChI InChI=1S/C12H16BrN/c1-10-5-6-11(9-12(10)13)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKey NYLCUCRPNIVCSQ-UHFFFAOYSA-N
Molecular Weight 254.171 g/mol
SMILES C1(Br)=C(C=CC(=C1)N1CCCCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823296