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2,2-Dimethyl-N-[2-(trifluoromethyl)phenyl]propanamide

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

2,2-Dimethyl-N-[2-(trifluoromethyl)phenyl]propanamide
SpectraBase Compound ID 4YAxyEbNjaM
InChI InChI=1S/C12H14F3NO/c1-11(2,3)10(17)16-9-7-5-4-6-8(9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKey SXKNUTLEZXPLLR-UHFFFAOYSA-N
Mol Weight 245.25 g/mol
Molecular Formula C12H14F3NO
Exact Mass 245.102749 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7EN1MoSYGp8
Name 2,2-Dimethyl-N-[2-(trifluoromethyl)phenyl]propanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.102748563 u
Formula C12H14F3NO
InChI InChI=1S/C12H14F3NO/c1-11(2,3)10(17)16-9-7-5-4-6-8(9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKey SXKNUTLEZXPLLR-UHFFFAOYSA-N
Molecular Weight 245.245 g/mol
SMILES C(C=1C(NC(C(C)(C)C)=O)=CC=CC1)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810947