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1-(Propylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine oxalate

View entire compound with spectra: 2 NMR

1-(Propylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine oxalate
SpectraBase Compound ID G1SOaQwngTZ
InChI InChI=1S/C17H28N2O5S.C2H2O4/c1-5-12-25(20,21)19-10-8-18(9-11-19)13-14-6-7-15(22-2)17(24-4)16(14)23-3;3-1(4)2(5)6/h6-7H,5,8-13H2,1-4H3;(H,3,4)(H,5,6)
InChIKey IVDSEYIJPWITTR-UHFFFAOYSA-N
Mol Weight 462.51 g/mol
Molecular Formula C19H30N2O9S
Exact Mass 462.167202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lc6xfMSCcxj
Name 1-(Propylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.167201719 u
Formula C19H30N2O9S
InChI InChI=1S/C17H28N2O5S.C2H2O4/c1-5-12-25(20,21)19-10-8-18(9-11-19)13-14-6-7-15(22-2)17(24-4)16(14)23-3;3-1(4)2(5)6/h6-7H,5,8-13H2,1-4H3;(H,3,4)(H,5,6)
InChIKey IVDSEYIJPWITTR-UHFFFAOYSA-N
Molecular Weight 462.514 g/mol
SMILES OC(C(O)=O)=O.CCCS(N1CCN(CC1)CC=1C(=C(OC)C(=CC1)OC)OC)(=O)=O