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1-{3-[(2-hydroxyethyl)amino]-4-nitrophenyl}-3-methylpiperazin-4-ium chloride

View entire compound with spectra: 2 NMR

1-{3-[(2-hydroxyethyl)amino]-4-nitrophenyl}-3-methylpiperazin-4-ium chloride
SpectraBase Compound ID E10yRy1t4IZ
InChI InChI=1S/C13H20N4O3.ClH/c1-10-9-16(6-4-14-10)11-2-3-13(17(19)20)12(8-11)15-5-7-18;/h2-3,8,10,14-15,18H,4-7,9H2,1H3;1H
InChIKey RRRUYXRPZNODOB-UHFFFAOYSA-N
Mol Weight 316.79 g/mol
Molecular Formula C13H21ClN4O3
Exact Mass 316.130218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BunqSRXmzee
Name piperazinium, 1-[3-[(2-hydroxyethyl)amino]-4-nitrophenyl]-3-methyl-,chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.130218249 u
Formula C13H21ClN4O3
InChI InChI=1S/C13H20N4O3.ClH/c1-10-9-16(6-4-14-10)11-2-3-13(17(19)20)12(8-11)15-5-7-18;/h2-3,8,10,14-15,18H,4-7,9H2,1H3;1H
InChIKey RRRUYXRPZNODOB-UHFFFAOYSA-N
Molecular Weight 316.789 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4880
Solvent DMSO-d6
Source Vendor ID: NMR/10210079; Lab Info: LP; Lab Number: 25-811