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Methyl 3-(N-pentafluoropropionylamino)benzoate

View entire compound with spectra: 1 FTIR

Methyl 3-(N-pentafluoropropionylamino)benzoate
SpectraBase Compound ID AgiYXSPZsSq
InChI InChI=1S/C11H8F5NO3/c1-20-8(18)6-3-2-4-7(5-6)17-9(19)10(12,13)11(14,15)16/h2-5H,1H3,(H,17,19)
InChIKey XDEMMFMXYWTUFR-UHFFFAOYSA-N
Mol Weight 297.18 g/mol
Molecular Formula C11H8F5NO3
Exact Mass 297.042434 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L7hEY6rMKvZ
Name Methyl 3-(N-pentafluoropropionylamino)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.042433934 u
Formula C11H8F5NO3
InChI InChI=1S/C11H8F5NO3/c1-20-8(18)6-3-2-4-7(5-6)17-9(19)10(12,13)11(14,15)16/h2-5H,1H3,(H,17,19)
InChIKey XDEMMFMXYWTUFR-UHFFFAOYSA-N
Molecular Weight 297.181 g/mol
SMILES C1(=CC(=CC=C1)NC(C(C(F)(F)F)(F)F)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810393