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Methyl 2-amino-5-(trifluoromethyl)benzoate

View entire compound with spectra: 1 FTIR

Methyl 2-amino-5-(trifluoromethyl)benzoate
SpectraBase Compound ID LkZRZj4Dx11
InChI InChI=1S/C9H8F3NO2/c1-15-8(14)6-4-5(9(10,11)12)2-3-7(6)13/h2-4H,13H2,1H3
InChIKey QGFUDNJZHZNPCS-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 GlMu76vJ3dB
Name Methyl 2-amino-5-(trifluoromethyl)benzoate
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/c1-15-8(14)6-4-5(9(10,11)12)2-3-7(6)13/h2-4H,13H2,1H3
InChIKey QGFUDNJZHZNPCS-UHFFFAOYSA-N
Molecular Weight 219.163 g/mol
SMILES C(C1=C(C=CC(=C1)C(F)(F)F)N)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946399