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6-[4-(1-adamantyl)piperazin-1-yl]-2-N,2-N-dimethyl-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 6ERRg4M5tIn
InChI InChI=1S/C26H34F3N7O/c1-34(2)23-31-22(30-20-3-5-21(6-4-20)37-26(27,28)29)32-24(33-23)35-7-9-36(10-8-35)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19H,7-16H2,1-2H3,(H,30,31,32,33)/t17-,18+,19-,25-
InChIKey LLBQHPHJUKTQIA-DXSJEHQWSA-N
Mol Weight 517.6 g/mol
Molecular Formula C26H34F3N7O
Exact Mass 517.277693 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HDWWpDXbHUB
Name 1,3,5-triazine-2,4-diamine, N~2~,N~2~-dimethyl-6-(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)-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 517.277693231 u
Formula C26H34F3N7O
InChI InChI=1S/C26H34F3N7O/c1-34(2)23-31-22(30-20-3-5-21(6-4-20)37-26(27,28)29)32-24(33-23)35-7-9-36(10-8-35)25-14-17-11-18(15-25)13-19(12-17)16-25/h3-6,17-19H,7-16H2,1-2H3,(H,30,31,32,33)/t17-,18+,19-,25-
InChIKey LLBQHPHJUKTQIA-DXSJEHQWSA-N
Molecular Weight 517.601 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16788
Solvent DMSO-d6
Source Vendor ID: NMR/11260427; Lab Info: AS; Lab Number: AS-X000099