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Benfluorex

View entire compound with spectra: 1 NMR, 1 FTIR, 3 MS (GC), and 2 MS (LC)

Benfluorex
SpectraBase Compound ID KndaJVtkKHy
InChI InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3
InChIKey CJAVTWRYCDNHSM-UHFFFAOYSA-N
Mol Weight 351.37 g/mol
Molecular Formula C19H20F3NO2
Exact Mass 351.144613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmBo1PzWd5r
Name Benfluorex
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.144613375 u
Formula C19H20F3NO2
InChI InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3
InChIKey CJAVTWRYCDNHSM-UHFFFAOYSA-N
Molecular Weight 351.369 g/mol
SMILES C(F)(F)(F)C1=CC(CC(C)NCCOC(=O)C=2C=CC=CC2)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889226