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

*Links on SpectraBase are not permalinks.

1-(4-Ethoxybenzyl)-4-(propylsulfonyl)piperazine oxalate

View entire compound with spectra: 2 NMR

1-(4-Ethoxybenzyl)-4-(propylsulfonyl)piperazine oxalate
SpectraBase Compound ID 54PxtOGMZOC
InChI InChI=1S/C16H26N2O3S.C2H2O4/c1-3-13-22(19,20)18-11-9-17(10-12-18)14-15-5-7-16(8-6-15)21-4-2;3-1(4)2(5)6/h5-8H,3-4,9-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey LPHRHOZWHWPBFA-UHFFFAOYSA-N
Mol Weight 416.49 g/mol
Molecular Formula C18H28N2O7S
Exact Mass 416.161722 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 873kuTSkMED
Name 1-(4-Ethoxybenzyl)-4-(propylsulfonyl)piperazine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.161722417 u
Formula C18H28N2O7S
InChI InChI=1S/C16H26N2O3S.C2H2O4/c1-3-13-22(19,20)18-11-9-17(10-12-18)14-15-5-7-16(8-6-15)21-4-2;3-1(4)2(5)6/h5-8H,3-4,9-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKey LPHRHOZWHWPBFA-UHFFFAOYSA-N
Molecular Weight 416.489 g/mol
SMILES OC(C(O)=O)=O.CCCS(N1CCN(CC1)CC=1C=CC(=CC1)OCC)(=O)=O