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

*Links on SpectraBase are not permalinks.
4-(N-Benzylamino)-4-[(p-tolylsulfinyl)methyl]-2,5-cyclohexadien-1-one
SpectraBase Compound ID CruCDFk9RB8
InChI InChI=1S/C21H21NO2S/c1-17-7-9-20(10-8-17)25(24)16-21(13-11-19(23)12-14-21)22-15-18-5-3-2-4-6-18/h2-14,22H,15-16H2,1H3
InChIKey DFENAPIRIJJKFM-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C21H21NO2S
Exact Mass 351.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8i8UDpoFVs7
Name 4-(N-Benzylamino)-4-[(p-tolylsulfinyl)methyl]-2,5-cyclohexadien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2S
InChI InChI=1S/C21H21NO2S/c1-17-7-9-20(10-8-17)25(24)16-21(13-11-19(23)12-14-21)22-15-18-5-3-2-4-6-18/h2-14,22H,15-16H2,1H3
InChIKey DFENAPIRIJJKFM-UHFFFAOYSA-N
Molecular Weight 351.464 g/mol
SMILES N(C1(CS(c2ccc(cc2)C)=O)C=CC(C=C1)=O)Cc1ccccc1
SPLASH splash10-01di-0930000000-bfa06361a25956b052de
Source of Spectrum QE-14-631-24
Wiley ID 1691870