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

*Links on SpectraBase are not permalinks.

N-Phenyl-3-[(benzylamino)methy]-3-tosyl-3-butenamide

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

N-Phenyl-3-[(benzylamino)methy]-3-tosyl-3-butenamide
SpectraBase Compound ID L1pW2ppOS2L
InChI InChI=1S/C25H26N2O3S/c1-20-12-14-23(15-13-20)31(29,30)24(19-26-18-21-8-4-2-5-9-21)16-17-25(28)27-22-10-6-3-7-11-22/h2-16,26H,17-19H2,1H3,(H,27,28)/b24-16+
InChIKey FJXWERAKRZGILS-LFVJCYFKSA-N
Mol Weight 434.55 g/mol
Molecular Formula C25H26N2O3S
Exact Mass 434.166414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID IBPGjkvPBA6
Name N-Phenyl-3-[(benzylamino)methy]-3-tosyl-3-butenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.166413876 u
Formula C25H26N2O3S
InChI InChI=1S/C25H26N2O3S/c1-20-12-14-23(15-13-20)31(29,30)24(19-26-18-21-8-4-2-5-9-21)16-17-25(28)27-22-10-6-3-7-11-22/h2-16,26H,17-19H2,1H3,(H,27,28)/b24-16+
InChIKey FJXWERAKRZGILS-LFVJCYFKSA-N
Molecular Weight 434.554 g/mol
SMILES C(\C=C/(S(C1=CC=C(C=C1)C)(=O)=O)CNCC1=CC=CC=C1)C(NC1=CC=CC=C1)=O