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ammonium 3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}benzoate
SpectraBase Compound ID FscjjUQkgLV
InChI InChI=1S/C18H15F3N4O6.H3N/c19-18(20,21)11-2-1-3-12(8-11)22-4-6-23(7-5-22)16-14(17(26)27)9-13(24(28)29)10-15(16)25(30)31;/h1-3,8-10H,4-7H2,(H,26,27);1H3
InChIKey CTIUDNRDNPKIHZ-UHFFFAOYSA-N
Mol Weight 457.37 g/mol
Molecular Formula C18H18F3N5O6
Exact Mass 457.120918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1nWuJFIxu00
Name ammonium 3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}benzoate
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/C18H15F3N4O6.H3N/c19-18(20,21)11-2-1-3-12(8-11)22-4-6-23(7-5-22)16-14(17(26)27)9-13(24(28)29)10-15(16)25(30)31;/h1-3,8-10H,4-7H2,(H,26,27);1H3
InChIKey CTIUDNRDNPKIHZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5103
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/11211493; Labnumber: LP-0503416; IOH_ID: IOH-005104