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4-Bromophenethylamine pfp

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Bromophenethylamine pfp
SpectraBase Compound ID BL3P4HtBZM4
InChI InChI=1S/C11H9BrF5NO/c12-8-3-1-7(2-4-8)5-6-18-9(19)10(13,14)11(15,16)17/h1-4H,5-6H2,(H,18,19)
InChIKey DUUNHGCJUHLQIZ-UHFFFAOYSA-N
Mol Weight 346.1 g/mol
Molecular Formula C11H9BrF5NO
Exact Mass 344.978768 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FHnUayCnS09
Name 4-Bromophenethylamine pfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.978767728 u
Formula C11H9BrF5NO
InChI InChI=1S/C11H9BrF5NO/c12-8-3-1-7(2-4-8)5-6-18-9(19)10(13,14)11(15,16)17/h1-4H,5-6H2,(H,18,19)
InChIKey DUUNHGCJUHLQIZ-UHFFFAOYSA-N
Molecular Weight 346.095 g/mol
SMILES C(C(F)(F)F)(C(NCCC1=CC=C(C=C1)Br)=O)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869309