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2-[methyl(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2,1,3-benzoxadiazol-5-yl)amino]ethanol
SpectraBase Compound ID 2YVOgZ2nqbd
InChI InChI=1S/C20H21F3N6O4/c1-26(9-10-30)16-12-15(17-18(25-33-24-17)19(16)29(31)32)28-7-5-27(6-8-28)14-4-2-3-13(11-14)20(21,22)23/h2-4,11-12,30H,5-10H2,1H3
InChIKey ZRDBIYRTKLCOHO-UHFFFAOYSA-N
Mol Weight 466.42 g/mol
Molecular Formula C20H21F3N6O4
Exact Mass 466.157638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5PqUmtHwBdF
Name 2-[methyl(4-nitro-7-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2,1,3-benzoxadiazol-5-yl)amino]ethanol
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.157637665 u
Formula C20H21F3N6O4
InChI InChI=1S/C20H21F3N6O4/c1-26(9-10-30)16-12-15(17-18(25-33-24-17)19(16)29(31)32)28-7-5-27(6-8-28)14-4-2-3-13(11-14)20(21,22)23/h2-4,11-12,30H,5-10H2,1H3
InChIKey ZRDBIYRTKLCOHO-UHFFFAOYSA-N
Molecular Weight 466.421 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1763
Solvent DMSO-d6
Source Vendor ID: NMR/12278361