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4-[4-(1-adamantyl)-1-piperazinyl]-N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SpectraBase Compound ID BAo53q0zREd
InChI InChI=1S/C21H31F3N6O/c1-28(2)17-25-18(27-19(26-17)31-13-21(22,23)24)29-3-5-30(6-4-29)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,3-13H2,1-2H3/t14-,15+,16-,20-
InChIKey CCHGBYLCGJTQQN-BMWJPVITSA-N
Mol Weight 440.52 g/mol
Molecular Formula C21H31F3N6O
Exact Mass 440.251144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J1rwAP3WFw1
Name 1,3,5-triazin-2-amine, N,N-dimethyl-4-(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)-6-(2,2,2-trifluoroethoxy)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.251144130 u
Formula C21H31F3N6O
InChI InChI=1S/C21H31F3N6O/c1-28(2)17-25-18(27-19(26-17)31-13-21(22,23)24)29-3-5-30(6-4-29)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,3-13H2,1-2H3/t14-,15+,16-,20-
InChIKey CCHGBYLCGJTQQN-BMWJPVITSA-N
Molecular Weight 440.515 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14698
Solvent DMSO-d6
Source Vendor ID: NMR/10320149; Lab Info: AS; Lab Number: AS-X000061