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N-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroacetamide

View entire compound with spectra: 1 NMR, and 1 FTIR

N-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroacetamide
SpectraBase Compound ID 3kMDnKvHfZm
InChI InChI=1S/C10H10F3NO3/c1-16-7-4-3-6(5-8(7)17-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKey JKOXZCJQDBFWJU-UHFFFAOYSA-N
Mol Weight 249.19 g/mol
Molecular Formula C10H10F3NO3
Exact Mass 249.061278 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LYngATJbdXr
Name N-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.061277672 u
Formula C10H10F3NO3
InChI InChI=1S/C10H10F3NO3/c1-16-7-4-3-6(5-8(7)17-2)14-9(15)10(11,12)13/h3-5H,1-2H3,(H,14,15)
InChIKey JKOXZCJQDBFWJU-UHFFFAOYSA-N
Molecular Weight 249.189 g/mol
SMILES C(F)(F)(F)C(=O)NC1=CC(=C(C=C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960472