For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-[4-(1-adamantyl)-1-piperazinyl]-6-(1-piperidinyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SpectraBase Compound ID 31ohotQf5Ga
InChI InChI=1S/C29H38F3N7O/c30-29(31,32)40-24-6-4-23(5-7-24)33-25-34-26(37-8-2-1-3-9-37)36-27(35-25)38-10-12-39(13-11-38)28-17-20-14-21(18-28)16-22(15-20)19-28/h4-7,20-22H,1-3,8-19H2,(H,33,34,35,36)/t20-,21+,22-,28-
InChIKey GRTFDVHDBQLUHL-VXFDCQMPSA-N
Mol Weight 557.7 g/mol
Molecular Formula C29H38F3N7O
Exact Mass 557.308993 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A5cPghk42dp
Name 1,3,5-triazin-2-amine, 4-(1-piperidinyl)-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 557.308993360 u
Formula C29H38F3N7O
InChI InChI=1S/C29H38F3N7O/c30-29(31,32)40-24-6-4-23(5-7-24)33-25-34-26(37-8-2-1-3-9-37)36-27(35-25)38-10-12-39(13-11-38)28-17-20-14-21(18-28)16-22(15-20)19-28/h4-7,20-22H,1-3,8-19H2,(H,33,34,35,36)/t20-,21+,22-,28-
InChIKey GRTFDVHDBQLUHL-VXFDCQMPSA-N
Molecular Weight 557.666 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16770
Solvent DMSO-d6
Source Vendor ID: NMR/11260429; Lab Info: AS; Lab Number: AS-X000101