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1-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(ethylsulfonyl)piperazine oxalate
SpectraBase Compound ID 1AaRGUNzGZ6
InChI InChI=1S/C14H20N2O4S.C2H2O4/c1-2-21(17,18)16-7-5-15(6-8-16)10-12-3-4-13-14(9-12)20-11-19-13;3-1(4)2(5)6/h3-4,9H,2,5-8,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKey SJGMXTXQXOURDZ-UHFFFAOYSA-N
Mol Weight 402.42 g/mol
Molecular Formula C16H22N2O8S
Exact Mass 402.109687 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7KF5HuuBdDH
Name 1-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(ethylsulfonyl)piperazine oxalate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H20N2O4S.C2H2O4/c1-2-21(17,18)16-7-5-15(6-8-16)10-12-3-4-13-14(9-12)20-11-19-13;3-1(4)2(5)6/h3-4,9H,2,5-8,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKey SJGMXTXQXOURDZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_126
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11219756