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

*Links on SpectraBase are not permalinks.

2,4-Dimethoxy-6-phenylmethanesulfinyl-benzonitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2,4-Dimethoxy-6-phenylmethanesulfinyl-benzonitrile
SpectraBase Compound ID GOdhnYGdGy4
InChI InChI=1S/C16H15NO3S/c1-19-13-8-15(20-2)14(10-17)16(9-13)21(18)11-12-6-4-3-5-7-12/h3-9H,11H2,1-2H3
InChIKey KWILYIMBXVJHMO-UHFFFAOYSA-N
Mol Weight 301.36 g/mol
Molecular Formula C16H15NO3S
Exact Mass 301.077265 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 7PUX8ZrL6dZ
Name 2,4-Dimethoxy-6-phenylmethanesulfinyl-benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.077264518 u
Formula C16H15NO3S
InChI InChI=1S/C16H15NO3S/c1-19-13-8-15(20-2)14(10-17)16(9-13)21(18)11-12-6-4-3-5-7-12/h3-9H,11H2,1-2H3
InChIKey KWILYIMBXVJHMO-UHFFFAOYSA-N
SMILES C1(=C(S(CC2=CC=CC=C2)=O)C=C(C=C1OC)OC)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804766