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Cathinone hfba derivative

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Cathinone hfba derivative
SpectraBase Compound ID 39Nsn3YArkm
InChI InChI=1S/C13H10F7NO2/c1-7(9(22)8-5-3-2-4-6-8)21-10(23)11(14,15)12(16,17)13(18,19)20/h2-7H,1H3,(H,21,23)
InChIKey KYZSGNKBNZDXSR-UHFFFAOYSA-N
Mol Weight 345.22 g/mol
Molecular Formula C13H10F7NO2
Exact Mass 345.059976 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6tf3DVItRk
Name Cathinone hfba derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.059975705 u
Formula C13H10F7NO2
InChI InChI=1S/C13H10F7NO2/c1-7(9(22)8-5-3-2-4-6-8)21-10(23)11(14,15)12(16,17)13(18,19)20/h2-7H,1H3,(H,21,23)
InChIKey KYZSGNKBNZDXSR-UHFFFAOYSA-N
Molecular Weight 345.217 g/mol
SMILES C(=O)(C(C(C(F)(F)F)(F)F)(F)F)NC(C)C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95916