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1-methyl-4-{4-nitro-3-[(oxolan-2-ylmethyl)amino]phenyl}piperazin-1-ium chloride
SpectraBase Compound ID 3DagrXxk3Z5
InChI InChI=1S/C16H24N4O3.ClH/c1-18-6-8-19(9-7-18)13-4-5-16(20(21)22)15(11-13)17-12-14-3-2-10-23-14;/h4-5,11,14,17H,2-3,6-10,12H2,1H3;1H/p+1
InChIKey OEGQOTAFIPEVKP-UHFFFAOYSA-O
Mol Weight 357.86 g/mol
Molecular Formula C16H26ClN4O3
Exact Mass 357.169343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7jFfwEA8JmK
Name 1-methyl-4-{4-nitro-3-[(oxolan-2-ylmethyl)amino]phenyl}piperazin-1-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/C16H24N4O3.ClH/c1-18-6-8-19(9-7-18)13-4-5-16(20(21)22)15(11-13)17-12-14-3-2-10-23-14;/h4-5,11,14,17H,2-3,6-10,12H2,1H3;1H/p+1
InChIKey OEGQOTAFIPEVKP-UHFFFAOYSA-O
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5410
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: D22884; Labnumber: SPKUZ-2166; SBI_ID: SBI-005412
Temperature 308 °C