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

*Links on SpectraBase are not permalinks.

2-[(4-Fluorobenzyl)sulfanyl]aniline, 2ac derivative

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

2-[(4-Fluorobenzyl)sulfanyl]aniline, 2ac derivative
SpectraBase Compound ID 7IXpTQwTBm
InChI InChI=1S/C17H16FNO2S/c1-12(20)19(13(2)21)16-5-3-4-6-17(16)22-11-14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3
InChIKey DSFLOOBZFXTISB-UHFFFAOYSA-N
Mol Weight 317.38 g/mol
Molecular Formula C17H16FNO2S
Exact Mass 317.088578 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 840AeWIPcPf
Name 2-[(4-Fluorobenzyl)sulfanyl]aniline, 2ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.088578094 u
Formula C17H16FNO2S
InChI InChI=1S/C17H16FNO2S/c1-12(20)19(13(2)21)16-5-3-4-6-17(16)22-11-14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3
InChIKey DSFLOOBZFXTISB-UHFFFAOYSA-N
Molecular Weight 317.378 g/mol
SMILES C1(N(C(=O)C)C(=O)C)=C(C=CC=C1)SCC1=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94829