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4-[4-(1-adamantyl)-1-piperazinyl]-6-(4-morpholinyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SpectraBase Compound ID 4HEPMZEPwYy
InChI InChI=1S/C28H36F3N7O2/c29-28(30,31)40-23-3-1-22(2-4-23)32-24-33-25(35-26(34-24)37-9-11-39-12-10-37)36-5-7-38(8-6-36)27-16-19-13-20(17-27)15-21(14-19)18-27/h1-4,19-21H,5-18H2,(H,32,33,34,35)/t19-,20+,21-,27-
InChIKey OIMQSSZUAHINRX-PHWDIDRRSA-N
Mol Weight 559.6 g/mol
Molecular Formula C28H36F3N7O2
Exact Mass 559.288258 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BRcimRtpHWQ
Name 1,3,5-triazin-2-amine, 4-(4-morpholinyl)-6-(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)-N-[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 559.288257914 u
Formula C28H36F3N7O2
InChI InChI=1S/C28H36F3N7O2/c29-28(30,31)40-23-3-1-22(2-4-23)32-24-33-25(35-26(34-24)37-9-11-39-12-10-37)36-5-7-38(8-6-36)27-16-19-13-20(17-27)15-21(14-19)18-27/h1-4,19-21H,5-18H2,(H,32,33,34,35)/t19-,20+,21-,27-
InChIKey OIMQSSZUAHINRX-PHWDIDRRSA-N
Molecular Weight 559.638 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16769
Solvent DMSO-d6
Source Vendor ID: NMR/11260428; Lab Info: AS; Lab Number: AS-X000100