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4'-Nitro-alpha,alpha,alpha-trifluoro-m-acetotoluidide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

4'-Nitro-alpha,alpha,alpha-trifluoro-m-acetotoluidide
SpectraBase Compound ID 4sHd98YUp5r
InChI InChI=1S/C9H7F3N2O3/c1-5(15)13-6-2-3-8(14(16)17)7(4-6)9(10,11)12/h2-4H,1H3,(H,13,15)
InChIKey MIHJCLQINRFOLX-UHFFFAOYSA-N
Mol Weight 248.16 g/mol
Molecular Formula C9H7F3N2O3
Exact Mass 248.040877 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8NK4o13TtkM
Name 4'-Nitro-alpha,alpha,alpha-trifluoro-m-acetotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.040876579 u
Formula C9H7F3N2O3
InChI InChI=1S/C9H7F3N2O3/c1-5(15)13-6-2-3-8(14(16)17)7(4-6)9(10,11)12/h2-4H,1H3,(H,13,15)
InChIKey MIHJCLQINRFOLX-UHFFFAOYSA-N
Molecular Weight 248.161 g/mol
SMILES N(C=1C=C(C(=CC1)N(=O)=O)C(F)(F)F)C(C)=O
Spectrum/Structure Validation Score (Raman) 0.950307