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2-Fluoroamphetamine HFB

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

2-Fluoroamphetamine HFB
SpectraBase Compound ID H216npeWH2d
InChI InChI=1S/C13H11F8NO/c1-7(6-8-4-2-3-5-9(8)14)22-10(23)11(15,16)12(17,18)13(19,20)21/h2-5,7H,6H2,1H3,(H,22,23)
InChIKey XAKKAXSQGXWYDT-UHFFFAOYSA-N
Mol Weight 349.22 g/mol
Molecular Formula C13H11F8NO
Exact Mass 349.071289 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID WnZGy3P4RM
Name 2-Fluoroamphetamine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.071289281 u
Formula C13H11F8NO
InChI InChI=1S/C13H11F8NO/c1-7(6-8-4-2-3-5-9(8)14)22-10(23)11(15,16)12(17,18)13(19,20)21/h2-5,7H,6H2,1H3,(H,22,23)
InChIKey XAKKAXSQGXWYDT-UHFFFAOYSA-N
Molecular Weight 349.224 g/mol
SMILES C1(=CC=CC=C1F)CC(C)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.809133