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2,4,5-Trifluoro-3-methoxybenzamide, N-(4-fluorophenyl)-
SpectraBase Compound ID LbtI4x3LNw
InChI InChI=1S/C14H9F4NO2/c1-21-13-11(17)9(6-10(16)12(13)18)14(20)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,20)
InChIKey ROMCVTXEZNFZIV-UHFFFAOYSA-N
Mol Weight 299.22 g/mol
Molecular Formula C14H9F4NO2
Exact Mass 299.056941 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 64s6PIVebmw
Name 2,4,5-Trifluoro-3-methoxybenzamide, N-(4-fluorophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.056941184 u
Formula C14H9F4NO2
InChI InChI=1S/C14H9F4NO2/c1-21-13-11(17)9(6-10(16)12(13)18)14(20)19-8-4-2-7(15)3-5-8/h2-6H,1H3,(H,19,20)
InChIKey ROMCVTXEZNFZIV-UHFFFAOYSA-N
Molecular Weight 299.225 g/mol
SMILES C1(=CC=C(C=C1)NC(C1=C(C(=C(F)C(=C1)F)OC)F)=O)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91043