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6-[4-(1-adamantyl)piperazin-1-yl]-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 8oIiBNF4T4E
InChI InChI=1S/C25H32F3N7O/c1-29-21-31-22(30-19-2-4-20(5-3-19)36-25(26,27)28)33-23(32-21)34-6-8-35(9-7-34)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18H,6-15H2,1H3,(H2,29,30,31,32,33)/t16-,17+,18-,24-
InChIKey IHEDSNPQMSCTSI-OXLXHMEASA-N
Mol Weight 503.6 g/mol
Molecular Formula C25H32F3N7O
Exact Mass 503.262043 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8W39P2LdE7j
Name 1,3,5-triazine-2,4-diamine, N~2~-methyl-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 503.262043166 u
Formula C25H32F3N7O
InChI InChI=1S/C25H32F3N7O/c1-29-21-31-22(30-19-2-4-20(5-3-19)36-25(26,27)28)33-23(32-21)34-6-8-35(9-7-34)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18H,6-15H2,1H3,(H2,29,30,31,32,33)/t16-,17+,18-,24-
InChIKey IHEDSNPQMSCTSI-OXLXHMEASA-N
Molecular Weight 503.574 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15315
Solvent DMSO-d6
Source Vendor ID: NMR/11220153; Lab Info: AS; Lab Number: AS-x000070