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Isophthalic acid, monoamide, N-(2-fluorophenyl)-, ethyl ester

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

Isophthalic acid, monoamide, N-(2-fluorophenyl)-, ethyl ester
SpectraBase Compound ID FetEM0KoO0v
InChI InChI=1S/C16H14FNO3/c1-2-21-16(20)12-7-5-6-11(10-12)15(19)18-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3,(H,18,19)
InChIKey WIGWYQSJFXWMOC-UHFFFAOYSA-N
Mol Weight 287.29 g/mol
Molecular Formula C16H14FNO3
Exact Mass 287.095771 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DmlrIDzwehJ
Name Isophthalic acid, monoamide, N-(2-fluorophenyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.095771475 u
Formula C16H14FNO3
InChI InChI=1S/C16H14FNO3/c1-2-21-16(20)12-7-5-6-11(10-12)15(19)18-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3,(H,18,19)
InChIKey WIGWYQSJFXWMOC-UHFFFAOYSA-N
Molecular Weight 287.290 g/mol
SMILES C(C1=CC(=CC=C1)C(OCC)=O)(NC1=C(C=CC=C1)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966347