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2'-Nitro-alpha,alpha,alpha-trifluoro-p-nonanotoluidide

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

2'-Nitro-alpha,alpha,alpha-trifluoro-p-nonanotoluidide
SpectraBase Compound ID 2YanlzUwiOS
InChI InChI=1S/C16H21F3N2O3/c1-2-3-4-5-6-7-8-15(22)20-13-10-9-12(16(17,18)19)11-14(13)21(23)24/h9-11H,2-8H2,1H3,(H,20,22)
InChIKey WUCWVKBAVOQNCQ-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C16H21F3N2O3
Exact Mass 346.150427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGqWzmevY5D
Name 2'-Nitro-alpha,alpha,alpha-trifluoro-p-nonanotoluidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.150427030 u
Formula C16H21F3N2O3
InChI InChI=1S/C16H21F3N2O3/c1-2-3-4-5-6-7-8-15(22)20-13-10-9-12(16(17,18)19)11-14(13)21(23)24/h9-11H,2-8H2,1H3,(H,20,22)
InChIKey WUCWVKBAVOQNCQ-UHFFFAOYSA-N
Molecular Weight 346.350 g/mol
SMILES N(C1=CC=C(C=C1N(=O)=O)C(F)(F)F)C(=O)CCCCCCCC