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N-Butyryl-(4-trifluoromethyl)benzamide

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

N-Butyryl-(4-trifluoromethyl)benzamide
SpectraBase Compound ID Gc6VuoH9NE5
InChI InChI=1S/C12H12F3NO2/c1-2-3-10(17)16-11(18)8-4-6-9(7-5-8)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17,18)
InChIKey PVUARUDOMVOXRT-UHFFFAOYSA-N
Mol Weight 259.23 g/mol
Molecular Formula C12H12F3NO2
Exact Mass 259.082013 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4HHvlO0Kcb2
Name N-Butyryl-(4-trifluoromethyl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.082013117 u
Formula C12H12F3NO2
InChI InChI=1S/C12H12F3NO2/c1-2-3-10(17)16-11(18)8-4-6-9(7-5-8)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17,18)
InChIKey PVUARUDOMVOXRT-UHFFFAOYSA-N
Molecular Weight 259.228 g/mol
SMILES C(C1=CC=C(C(NC(=O)CCC)=O)C=C1)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839306