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1,5-Dimethyl-2-nitro-4-(trifluoromethyl)benzene

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

1,5-Dimethyl-2-nitro-4-(trifluoromethyl)benzene
SpectraBase Compound ID DTCNbf3MZ8K
InChI InChI=1S/C9H8F3NO2/c1-5-3-6(2)8(13(14)15)4-7(5)9(10,11)12/h3-4H,1-2H3
InChIKey HMRYPTHOPWUPOB-UHFFFAOYSA-N
Mol Weight 219.16 g/mol
Molecular Formula C9H8F3NO2
Exact Mass 219.050713 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GxMaB4DB7hK
Name 1,5-Dimethyl-2-nitro-4-(trifluoromethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.050712989 u
Formula C9H8F3NO2
InChI InChI=1S/C9H8F3NO2/c1-5-3-6(2)8(13(14)15)4-7(5)9(10,11)12/h3-4H,1-2H3
InChIKey HMRYPTHOPWUPOB-UHFFFAOYSA-N
Molecular Weight 219.163 g/mol
SMILES C=1(C(=CC(=C(C1)C)C(F)(F)F)N(=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851311