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2'-Pyridinyl 3-fluoro-4-methoxybenzoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2'-Pyridinyl 3-fluoro-4-methoxybenzoate
SpectraBase Compound ID FzXlOmwl2co
InChI InChI=1S/C13H10FNO3/c1-17-11-6-5-9(8-10(11)14)13(16)18-12-4-2-3-7-15-12/h2-8H,1H3
InChIKey DETPFDDSLMCODX-UHFFFAOYSA-N
Mol Weight 247.23 g/mol
Molecular Formula C13H10FNO3
Exact Mass 247.064471 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID UqrkIBqNMo
Name 2'-Pyridinyl 3-fluoro-4-methoxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.064471346 u
Formula C13H10FNO3
InChI InChI=1S/C13H10FNO3/c1-17-11-6-5-9(8-10(11)14)13(16)18-12-4-2-3-7-15-12/h2-8H,1H3
InChIKey DETPFDDSLMCODX-UHFFFAOYSA-N
Molecular Weight 247.225 g/mol
SMILES C(OC1=NC=CC=C1)(C1=CC(F)=C(C=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942725