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2-Fluoro-6-(4-(methylsulfanyl)phenoxy)benzonitrile

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

2-Fluoro-6-(4-(methylsulfanyl)phenoxy)benzonitrile
SpectraBase Compound ID EoDJeLvTYp4
InChI InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKey KIJMTRJIUKHLPE-UHFFFAOYSA-N
Mol Weight 259.3 g/mol
Molecular Formula C14H10FNOS
Exact Mass 259.046713 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4SQbuW1GdV4
Name 2-Fluoro-6-(4-(methylsulfanyl)phenoxy)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.046713282 u
Formula C14H10FNOS
InChI InChI=1S/C14H10FNOS/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKey KIJMTRJIUKHLPE-UHFFFAOYSA-N
Molecular Weight 259.298 g/mol
SMILES C1(=CC=C(C=C1)SC)OC1=C(C#N)C(F)=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904913