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

*Links on SpectraBase are not permalinks.

4-[4-(1-adamantyl)piperazin-1-yl]-N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-[4-(1-adamantyl)piperazin-1-yl]-N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SpectraBase Compound ID KOW1so46s0K
InChI InChI=1S/C29H39ClF2N8O/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 CQWBCSIIJNFJJZ-VXFDCQMPSA-N
Mol Weight 589.1 g/mol
Molecular Formula C29H39ClF2N8O
Exact Mass 588.290342 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 7gPvwMv7u9e
Name 1,3,5-triazin-2-amine, N-[4-(chlorodifluoromethoxy)phenyl]-4-(4-methyl-1-piperazinyl)-6-(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 588.290341933 u
Formula C29H39ClF2N8O
InChI InChI=1S/C29H39ClF2N8O/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 CQWBCSIIJNFJJZ-VXFDCQMPSA-N
Molecular Weight 589.136 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17991
Solvent DMSO-d6
Source Vendor ID: NMR/11260426; Lab Info: AS; Lab Number: AS-X000098