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2-[4-(1-adamantyl)-1-piperazinyl]-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SpectraBase Compound ID 9n4VS1mYVzs
InChI InChI=1S/C21H27F6N5O2/c22-20(23,24)11-33-17-28-16(29-18(30-17)34-12-21(25,26)27)31-1-3-32(4-2-31)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2/t13-,14+,15-,19-
InChIKey JPFYEJLCXMKXPB-CSVIQDERSA-N
Mol Weight 495.47 g/mol
Molecular Formula C21H27F6N5O2
Exact Mass 495.206894 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5i7IZLWubBu
Name 1,3,5-triazine, 2-(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)-4,6-bis(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 495.206894105 u
Formula C21H27F6N5O2
InChI InChI=1S/C21H27F6N5O2/c22-20(23,24)11-33-17-28-16(29-18(30-17)34-12-21(25,26)27)31-1-3-32(4-2-31)19-8-13-5-14(9-19)7-15(6-13)10-19/h13-15H,1-12H2/t13-,14+,15-,19-
InChIKey JPFYEJLCXMKXPB-CSVIQDERSA-N
Molecular Weight 495.470 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15300
Solvent DMSO-d6
Source Vendor ID: NMR/11220162; Lab Info: AS; Lab Number: AS-x000084