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6-[4-(3-chlorophenyl)-1-piperazinyl]-N4-methyl-N2-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 1POJZwigGOo
InChI InChI=1S/C21H21ClF3N7O/c1-26-18-28-19(27-15-5-7-17(8-6-15)33-21(23,24)25)30-20(29-18)32-11-9-31(10-12-32)16-4-2-3-14(22)13-16/h2-8,13H,9-12H2,1H3,(H2,26,27,28,29,30)
InChIKey RPYXPDFYECWATJ-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C21H21ClF3N7O
Exact Mass 479.144821 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4uxn2XRat0C
Name 1,3,5-triazine-2,4-diamine, 6-[4-(3-chlorophenyl)-1-piperazinyl]-N~2~-methyl-N~4~-[4-(trifluoromethoxy)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.144820512 u
Formula C21H21ClF3N7O
InChI InChI=1S/C21H21ClF3N7O/c1-26-18-28-19(27-15-5-7-17(8-6-15)33-21(23,24)25)30-20(29-18)32-11-9-31(10-12-32)16-4-2-3-14(22)13-16/h2-8,13H,9-12H2,1H3,(H2,26,27,28,29,30)
InChIKey RPYXPDFYECWATJ-UHFFFAOYSA-N
Molecular Weight 479.895 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14373
Solvent DMSO-d6
Source Vendor ID: NMR/10320145; Lab Info: AS; Lab Number: AS-X000057