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2-Nitro-N-[3',5'-bis(trifluoromethyl)]phenylaniline

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

2-Nitro-N-[3',5'-bis(trifluoromethyl)]phenylaniline
SpectraBase Compound ID BAAJkVxFHG1
InChI InChI=1S/C14H8F6N2O2/c15-13(16,17)8-5-9(14(18,19)20)7-10(6-8)21-11-3-1-2-4-12(11)22(23)24/h1-7,21H
InChIKey QJDIGSKRSZDCAA-UHFFFAOYSA-N
Mol Weight 350.22 g/mol
Molecular Formula C14H8F6N2O2
Exact Mass 350.048996 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 82jE6ZHrI7B
Name 2-Nitro-N-[3',5'-bis(trifluoromethyl)]phenylaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.048996482 u
Formula C14H8F6N2O2
InChI InChI=1S/C14H8F6N2O2/c15-13(16,17)8-5-9(14(18,19)20)7-10(6-8)21-11-3-1-2-4-12(11)22(23)24/h1-7,21H
InChIKey QJDIGSKRSZDCAA-UHFFFAOYSA-N
Molecular Weight 350.220 g/mol
SMILES C=1(N(=O)=O)C(NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955533