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Propanamide, 2-methyl-N-[2,2,2-trifluoro-1-[(2-fluorophenyl)amino]-1-(trifluoromethyl)ethyl]-
SpectraBase Compound ID DV5YI6014xg
InChI InChI=1S/C13H13F7N2O/c1-7(2)10(23)22-11(12(15,16)17,13(18,19)20)21-9-6-4-3-5-8(9)14/h3-7,21H,1-2H3,(H,22,23)
InChIKey VCYLQBAHYUYXAP-UHFFFAOYSA-N
Mol Weight 346.25 g/mol
Molecular Formula C13H13F7N2O
Exact Mass 346.09161 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hv4B49AlkmO
Name Propanamide, 2-methyl-N-[2,2,2-trifluoro-1-[(2-fluorophenyl)amino]-1-(trifluoromethyl)ethyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.091610187 u
Formula C13H13F7N2O
InChI InChI=1S/C13H13F7N2O/c1-7(2)10(23)22-11(12(15,16)17,13(18,19)20)21-9-6-4-3-5-8(9)14/h3-7,21H,1-2H3,(H,22,23)
InChIKey VCYLQBAHYUYXAP-UHFFFAOYSA-N
Molecular Weight 346.249 g/mol
SMILES C1(=C(C=CC=C1)F)NC(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827513