For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(4-Fluorophenyl)-2-[(4-methylbenzene)sulfonyl]acetonitrile

View entire compound with spectra: 1 FTIR

2-(4-Fluorophenyl)-2-[(4-methylbenzene)sulfonyl]acetonitrile
SpectraBase Compound ID 73CjjpsJv8n
InChI InChI=1S/C15H12FNO2S/c1-11-2-8-14(9-3-11)20(18,19)15(10-17)12-4-6-13(16)7-5-12/h2-9,15H,1H3
InChIKey WZYFIUQPFVDWGI-UHFFFAOYSA-N
Mol Weight 289.32 g/mol
Molecular Formula C15H12FNO2S
Exact Mass 289.057278 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DMlEC8MWw8c
Name 2-(4-Fluorophenyl)-2-[(4-methylbenzene)sulfonyl]acetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.057277965 u
Formula C15H12FNO2S
InChI InChI=1S/C15H12FNO2S/c1-11-2-8-14(9-3-11)20(18,19)15(10-17)12-4-6-13(16)7-5-12/h2-9,15H,1H3
InChIKey WZYFIUQPFVDWGI-UHFFFAOYSA-N
Molecular Weight 289.324 g/mol
SMILES C(C#N)(S(C1=CC=C(C)C=C1)(=O)=O)C=1C=CC(=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926717