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2-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID BE9REYzIEtR
InChI InChI=1S/C22H23Cl2F2N7O/c1-31(2)20-28-19(27-16-6-8-18(9-7-16)34-22(24,25)26)29-21(30-20)33-12-10-32(11-13-33)17-5-3-4-15(23)14-17/h3-9,14H,10-13H2,1-2H3,(H,27,28,29,30)
InChIKey NLRHIHDJZKVFOK-UHFFFAOYSA-N
Mol Weight 510.38 g/mol
Molecular Formula C22H23Cl2F2N7O
Exact Mass 509.13092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bu3XBW8L5j1
Name 1,3,5-triazine-2,4-diamine, N~2~-[4-(chlorodifluoromethoxy)phenyl]-6-[4-(3-chlorophenyl)-1-piperazinyl]-N~4~,N~4~-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.130920114 u
Formula C22H23Cl2F2N7O
InChI InChI=1S/C22H23Cl2F2N7O/c1-31(2)20-28-19(27-16-6-8-18(9-7-16)34-22(24,25)26)29-21(30-20)33-12-10-32(11-13-33)17-5-3-4-15(23)14-17/h3-9,14H,10-13H2,1-2H3,(H,27,28,29,30)
InChIKey NLRHIHDJZKVFOK-UHFFFAOYSA-N
Molecular Weight 510.377 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14733
Solvent DMSO-d6
Source Vendor ID: NMR/10320132; Lab Info: AS; Lab Number: AS-X000044