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4-[4-(1-adamantyl)-1-piperazinyl]-6-(4-methyl-1-piperazinyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SpectraBase Compound ID HegPUfRx56l
InChI InChI=1S/C29H39F3N8O/c1-37-6-8-38(9-7-37)26-34-25(33-23-2-4-24(5-3-23)41-29(30,31)32)35-27(36-26)39-10-12-40(13-11-39)28-17-20-14-21(18-28)16-22(15-20)19-28/h2-5,20-22H,6-19H2,1H3,(H,33,34,35,36)/t20-,21+,22-,28-
InChIKey ZZHGMRURFFHYLR-VXFDCQMPSA-N
Mol Weight 572.7 g/mol
Molecular Formula C29H39F3N8O
Exact Mass 572.319892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Qj74aRbMHN
Name 1,3,5-triazin-2-amine, 4-(4-methyl-1-piperazinyl)-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 572.319892396 u
Formula C29H39F3N8O
InChI InChI=1S/C29H39F3N8O/c1-37-6-8-38(9-7-37)26-34-25(33-23-2-4-24(5-3-23)41-29(30,31)32)35-27(36-26)39-10-12-40(13-11-39)28-17-20-14-21(18-28)16-22(15-20)19-28/h2-5,20-22H,6-19H2,1H3,(H,33,34,35,36)/t20-,21+,22-,28-
InChIKey ZZHGMRURFFHYLR-VXFDCQMPSA-N
Molecular Weight 572.681 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16772
Solvent DMSO-d6
Source Vendor ID: NMR/11260433; Lab Info: AS; Lab Number: AS-X000107