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

*Links on SpectraBase are not permalinks.

3,4,5-trimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide

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

3,4,5-trimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
SpectraBase Compound ID Dy8eO648kBw
InChI InChI=1S/C22H28N2O6S/c1-28-19-14-17(15-20(29-2)21(19)30-3)22(25)23-11-10-16-6-8-18(9-7-16)31(26,27)24-12-4-5-13-24/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKey KUUAFLSQSSWIEO-UHFFFAOYSA-N
Mol Weight 448.53 g/mol
Molecular Formula C22H28N2O6S
Exact Mass 448.166808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID J2SXV71A50z
Name 3,4,5-Trimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.166807798 u
Formula C22H28N2O6S
InChI InChI=1S/C22H28N2O6S/c1-28-19-14-17(15-20(29-2)21(19)30-3)22(25)23-11-10-16-6-8-18(9-7-16)31(26,27)24-12-4-5-13-24/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKey KUUAFLSQSSWIEO-UHFFFAOYSA-N
Molecular Weight 448.534 g/mol
SMILES C1CN(S(C2=CC=C(C=C2)CCNC(C2=CC(OC)=C(C(=C2)OC)OC)=O)(=O)=O)CC1