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1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(methylsulfonyl)piperazin-1-ium
SpectraBase Compound ID 46snFrnVdxu
InChI InChI=1S/C11H19N3O2S/c1-12-5-3-4-11(12)10-13-6-8-14(9-7-13)17(2,15)16/h3-5H,6-10H2,1-2H3/p+1
InChIKey HASQMSVZROWASA-UHFFFAOYSA-O
Mol Weight 258.36 g/mol
Molecular Formula C11H20N3O2S
Exact Mass 258.127623 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AfEFe8FjzEE
Name 1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(methylsulfonyl)piperazin-1-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/C11H19N3O2S/c1-12-5-3-4-11(12)10-13-6-8-14(9-7-13)17(2,15)16/h3-5H,6-10H2,1-2H3/p+1
InChIKey HASQMSVZROWASA-UHFFFAOYSA-O
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13903
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/9318550; UBI_ID: UBI-013906
Temperature 308 °C