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1,3,5-triazin-2-amine, 4-(hexahydro-1H-azepin-1-yl)-6-(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID Dvs6P7RmGJu
InChI InChI=1S/C30H40F3N7O/c31-30(32,33)41-25-7-5-24(6-8-25)34-26-35-27(38-9-3-1-2-4-10-38)37-28(36-26)39-11-13-40(14-12-39)29-18-21-15-22(19-29)17-23(16-21)20-29/h5-8,21-23H,1-4,9-20H2,(H,34,35,36,37)/t21-,22+,23-,29-
InChIKey RVCDRVSCZWAOTK-SJNZTUBNSA-N
Mol Weight 571.7 g/mol
Molecular Formula C30H40F3N7O
Exact Mass 571.324643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CeV8vZQn3RK
Name 1,3,5-triazin-2-amine, 4-(hexahydro-1H-azepin-1-yl)-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 571.324643424 u
Formula C30H40F3N7O
InChI InChI=1S/C30H40F3N7O/c31-30(32,33)41-25-7-5-24(6-8-25)34-26-35-27(38-9-3-1-2-4-10-38)37-28(36-26)39-11-13-40(14-12-39)29-18-21-15-22(19-29)17-23(16-21)20-29/h5-8,21-23H,1-4,9-20H2,(H,34,35,36,37)/t21-,22+,23-,29-
InChIKey RVCDRVSCZWAOTK-SJNZTUBNSA-N
Molecular Weight 571.693 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16789
Solvent DMSO-d6
Source Vendor ID: NMR/11260430; Lab Info: AS; Lab Number: AS-X000102