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2-Methyl-alpha,alpha,alpha-trifluoro-m-valerotoluidide

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

2-Methyl-alpha,alpha,alpha-trifluoro-m-valerotoluidide
SpectraBase Compound ID 85zwZHjNtGw
InChI InChI=1S/C13H16F3NO/c1-3-5-9(2)12(18)17-11-7-4-6-10(8-11)13(14,15)16/h4,6-9H,3,5H2,1-2H3,(H,17,18)
InChIKey HZSKDVJCJDLPLQ-UHFFFAOYSA-N
Mol Weight 259.27 g/mol
Molecular Formula C13H16F3NO
Exact Mass 259.118399 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID QmJziQ44nS
Name 2-Methyl-alpha,alpha,alpha-trifluoro-m-valerotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.118398627 u
Formula C13H16F3NO
InChI InChI=1S/C13H16F3NO/c1-3-5-9(2)12(18)17-11-7-4-6-10(8-11)13(14,15)16/h4,6-9H,3,5H2,1-2H3,(H,17,18)
InChIKey HZSKDVJCJDLPLQ-UHFFFAOYSA-N
Molecular Weight 259.272 g/mol
SMILES N(C=1C=C(C=CC1)C(F)(F)F)C(C(CCC)C)=O
Spectrum/Structure Validation Score (Raman) 0.914327