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2-[4-(2-hydroxyethyl)-1-piperazinyl]-3,5-dinitrobenzoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[4-(2-hydroxyethyl)-1-piperazinyl]-3,5-dinitrobenzoic acid
SpectraBase Compound ID Em76IYMfOmW
InChI InChI=1S/C13H16N4O7/c18-6-5-14-1-3-15(4-2-14)12-10(13(19)20)7-9(16(21)22)8-11(12)17(23)24/h7-8,18H,1-6H2,(H,19,20)
InChIKey NHUNQOYVQPNQDB-UHFFFAOYSA-N
Mol Weight 340.29 g/mol
Molecular Formula C13H16N4O7
Exact Mass 340.101899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6LFoR5zff8u
Name 2-[4-(2-hydroxyethyl)-1-piperazinyl]-3,5-dinitrobenzoic acid
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/C13H16N4O7/c18-6-5-14-1-3-15(4-2-14)12-10(13(19)20)7-9(16(21)22)8-11(12)17(23)24/h7-8,18H,1-6H2,(H,19,20)
InChIKey NHUNQOYVQPNQDB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1122
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: ZI/7083298; Labnumber: LP-0500307; IOH_ID: IOH-001123
Temperature 303 °C