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

*Links on SpectraBase are not permalinks.
3-Benzyloxy-2-[(2'-(methoxymethyl)pyrrolidin-1'-yl)amino]propyl phenyl sulfone
SpectraBase Compound ID 6w4UsDHbYIX
InChI InChI=1S/C22H30N2O4S/c1-27-17-21-11-8-14-24(21)23-20(16-28-15-19-9-4-2-5-10-19)18-29(25,26)22-12-6-3-7-13-22/h2-7,9-10,12-13,20-21,23H,8,11,14-18H2,1H3
InChIKey RTCMJPJOEVEKPG-UHFFFAOYSA-N
Mol Weight 418.55 g/mol
Molecular Formula C22H30N2O4S
Exact Mass 418.192629 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 HfOGUs6H1FI
Name 3-Benzyloxy-2-[(2'-(methoxymethyl)pyrrolidin-1'-yl)amino]propyl phenyl sulfone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.192628624 u
Formula C22H30N2O4S
InChI InChI=1S/C22H30N2O4S/c1-27-17-21-11-8-14-24(21)23-20(16-28-15-19-9-4-2-5-10-19)18-29(25,26)22-12-6-3-7-13-22/h2-7,9-10,12-13,20-21,23H,8,11,14-18H2,1H3
InChIKey RTCMJPJOEVEKPG-UHFFFAOYSA-N
Molecular Weight 418.552 g/mol
SMILES C(S(=O)(=O)C=1C=CC=CC1)C(NN1C(COC)CCC1)COCC=1C=CC=CC1