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5-nitro-8-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}quinoline
SpectraBase Compound ID Goi9PVkcuBr
InChI InChI=1S/C20H16F3N5O4/c21-20(22,23)13-3-4-16(18(12-13)28(31)32)25-8-10-26(11-9-25)17-6-5-15(27(29)30)14-2-1-7-24-19(14)17/h1-7,12H,8-11H2
InChIKey CGXQOTXBPZKVCT-UHFFFAOYSA-N
Mol Weight 447.37 g/mol
Molecular Formula C20H16F3N5O4
Exact Mass 447.115439 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4LX6AXIxPFR
Name 5-nitro-8-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}quinoline
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/C20H16F3N5O4/c21-20(22,23)13-3-4-16(18(12-13)28(31)32)25-8-10-26(11-9-25)17-6-5-15(27(29)30)14-2-1-7-24-19(14)17/h1-7,12H,8-11H2
InChIKey CGXQOTXBPZKVCT-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4297
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/8315745; Labnumber: LP-KV00840; IOH_ID: IOH-004298
Temperature 297 °C