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1,3,5-triazine-2,4,6-triamine, N~2~-methyl-N~4~-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)ethyl]-N~6~-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID FriEhbBY4aX
InChI InChI=1S/C23H29F3N6O2/c1-27-19-30-20(28-6-7-33-22-11-14-8-15(12-22)10-16(9-14)13-22)32-21(31-19)29-17-2-4-18(5-3-17)34-23(24,25)26/h2-5,14-16H,6-13H2,1H3,(H3,27,28,29,30,31,32)/t14-,15+,16-,22-
InChIKey MYPPZTDBVHMESK-OFWUGVANSA-N
Mol Weight 478.52 g/mol
Molecular Formula C23H29F3N6O2
Exact Mass 478.230409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bc0uaNaA88O
Name 1,3,5-triazine-2,4,6-triamine, N~2~-methyl-N~4~-[2-(tricyclo[3.3.1.1~3,7~]dec-1-yloxy)ethyl]-N~6~-[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 478.230408685 u
Formula C23H29F3N6O2
InChI InChI=1S/C23H29F3N6O2/c1-27-19-30-20(28-6-7-33-22-11-14-8-15(12-22)10-16(9-14)13-22)32-21(31-19)29-17-2-4-18(5-3-17)34-23(24,25)26/h2-5,14-16H,6-13H2,1H3,(H3,27,28,29,30,31,32)/t14-,15+,16-,22-
InChIKey MYPPZTDBVHMESK-OFWUGVANSA-N
Molecular Weight 478.520 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16328
Solvent DMSO-d6
Source Vendor ID: NMR/11220154; Lab Info: AS; Lab Number: AS-x000071