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Methyl N-trifluoroacetylaminobenzoate

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

Methyl N-trifluoroacetylaminobenzoate
SpectraBase Compound ID HEdCDFrtsLs
InChI InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKey MDDVOSSRTNAXHJ-UHFFFAOYSA-N
Mol Weight 247.17 g/mol
Molecular Formula C10H8F3NO3
Exact Mass 247.045628 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7DDdLCkXv53
Name Methyl N-trifluoroacetylaminobenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.045627608 u
Formula C10H8F3NO3
InChI InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)
InChIKey MDDVOSSRTNAXHJ-UHFFFAOYSA-N
Molecular Weight 247.173 g/mol
SMILES C1=CC(=CC=C1C(OC)=O)NC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970469