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2-N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID J5HeVCqesmg
InChI InChI=1S/C21H21Cl2F2N7O/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 YJHIWEVZVDHLEU-UHFFFAOYSA-N
Mol Weight 496.35 g/mol
Molecular Formula C21H21Cl2F2N7O
Exact Mass 495.11527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A5eLapZ88dn
Name 1,3,5-triazine-2,4-diamine, N~2~-[4-(chlorodifluoromethoxy)phenyl]-6-[4-(3-chlorophenyl)-1-piperazinyl]-N~4~-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.115270049 u
Formula C21H21Cl2F2N7O
InChI InChI=1S/C21H21Cl2F2N7O/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 YJHIWEVZVDHLEU-UHFFFAOYSA-N
Molecular Weight 496.350 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14562
Solvent DMSO-d6
Source Vendor ID: NMR/10320133; Lab Info: AS; Lab Number: AS-X000045