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1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-nitrobenzoyl)piperazin-1-ium
SpectraBase Compound ID 2soMbgq8z8N
InChI InChI=1S/C17H20N4O3/c1-18-8-2-3-16(18)13-19-9-11-20(12-10-19)17(22)14-4-6-15(7-5-14)21(23)24/h2-8H,9-13H2,1H3/p+1
InChIKey GSTXZBGLJXMHDE-UHFFFAOYSA-O
Mol Weight 329.38 g/mol
Molecular Formula C17H21N4O3
Exact Mass 329.161366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1cgPe27VokV
Name 1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(4-nitrobenzoyl)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/C17H20N4O3/c1-18-8-2-3-16(18)13-19-9-11-20(12-10-19)17(22)14-4-6-15(7-5-14)21(23)24/h2-8H,9-13H2,1H3/p+1
InChIKey GSTXZBGLJXMHDE-UHFFFAOYSA-O
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20694
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/9311930; UBI_ID: UBI-020698
Temperature 308 °C