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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 6KTGnvdkrux
Name quinoline, 5-nitro-8-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.115438500 u
Formula C20H16F3N5O4
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
Molecular Weight 447.374 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2867
Solvent DMSO-d6
Source Vendor ID: NMR/9248555; Lab Info: *0804194*; Lab Number: *0804194*
Temperature 29.85 °C