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1-[(4-methylphenyl)sulfonyl]-4-[(1-methyl-1H-pyrrol-2-yl)methyl]piperazin-4-ium
SpectraBase Compound ID 4wJFfRM8M3H
InChI InChI=1S/C17H23N3O2S/c1-15-5-7-17(8-6-15)23(21,22)20-12-10-19(11-13-20)14-16-4-3-9-18(16)2/h3-9H,10-14H2,1-2H3/p+1
InChIKey AFFRFEKFVFFMTM-UHFFFAOYSA-O
Mol Weight 334.46 g/mol
Molecular Formula C17H24N3O2S
Exact Mass 334.158923 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2qBdkbUbF6p
Name 1-[(4-methylphenyl)sulfonyl]-4-[(1-methyl-1H-pyrrol-2-yl)methyl]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/C17H23N3O2S/c1-15-5-7-17(8-6-15)23(21,22)20-12-10-19(11-13-20)14-16-4-3-9-18(16)2/h3-9H,10-14H2,1-2H3/p+1
InChIKey AFFRFEKFVFFMTM-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13663
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/9311240; UBI_ID: UBI-013666
Temperature 308 °C