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1-(methylsulfonyl)-4-(3-nitrobenzyl)piperazin-4-ium

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1-(methylsulfonyl)-4-(3-nitrobenzyl)piperazin-4-ium
SpectraBase Compound ID 3zFvEwY9dV0
InChI InChI=1S/C12H17N3O4S/c1-20(18,19)14-7-5-13(6-8-14)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3/p+1
InChIKey IWEOQZSECUTOAL-UHFFFAOYSA-O
Mol Weight 300.35 g/mol
Molecular Formula C12H18N3O4S
Exact Mass 300.101802 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1uoV48PqpUl
Name 1-(methylsulfonyl)-4-(3-nitrobenzyl)piperazin-4-ium
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/C12H17N3O4S/c1-20(18,19)14-7-5-13(6-8-14)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3/p+1
InChIKey IWEOQZSECUTOAL-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13901
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: UZI/9318489; UBI_ID: UBI-013904
Temperature 308 °C