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1-[2-(methoxycarbonyl)-4,6-dinitrophenyl]-3-methylpiperazin-4-ium chloride
SpectraBase Compound ID AR0JJ9L5fMi
InChI InChI=1S/C13H16N4O6.ClH/c1-8-7-15(4-3-14-8)12-10(13(18)23-2)5-9(16(19)20)6-11(12)17(21)22;/h5-6,8,14H,3-4,7H2,1-2H3;1H
InChIKey PQXMERFEUOOSRY-UHFFFAOYSA-N
Mol Weight 360.75 g/mol
Molecular Formula C13H17ClN4O6
Exact Mass 360.083662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DABY8xFA11S
Name 1-[2-(methoxycarbonyl)-4,6-dinitrophenyl]-3-methylpiperazin-4-ium chloride
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/C13H16N4O6.ClH/c1-8-7-15(4-3-14-8)12-10(13(18)23-2)5-9(16(19)20)6-11(12)17(21)22;/h5-6,8,14H,3-4,7H2,1-2H3;1H
InChIKey PQXMERFEUOOSRY-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_397
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: NMR/8295196; Labnumber: LP-0502059
Temperature 297 °C