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4-((7E)-7-[4-(dimethylamino)benzylidene]-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazol-3-yl)-N,N-dimethylaniline

View entire compound with spectra: 1 NMR

4-((7E)-7-[4-(dimethylamino)benzylidene]-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazol-3-yl)-N,N-dimethylaniline
SpectraBase Compound ID BdGHFhWfZvn
InChI InChI=1S/C31H35F3N6O/c1-20-17-27(31(32,33)34)35-39(20)19-28(41)40-30(22-11-15-25(16-12-22)38(4)5)26-8-6-7-23(29(26)36-40)18-21-9-13-24(14-10-21)37(2)3/h9-18,26,30H,6-8,19H2,1-5H3/b23-18+
InChIKey FBRXBANJMIRPCT-PTGBLXJZSA-N
Mol Weight 564.7 g/mol
Molecular Formula C31H35F3N6O
Exact Mass 564.282444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LHahgRIBonf
Name 4-((7E)-7-[4-(dimethylamino)benzylidene]-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazol-3-yl)-N,N-dimethylaniline
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H35F3N6O/c1-20-17-27(31(32,33)34)35-39(20)19-28(41)40-30(22-11-15-25(16-12-22)38(4)5)26-8-6-7-23(29(26)36-40)18-21-9-13-24(14-10-21)37(2)3/h9-18,26,30H,6-8,19H2,1-5H3/b23-18+
InChIKey FBRXBANJMIRPCT-PTGBLXJZSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9036
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1025759; Labnumber: Gbb0216; UZI_ID: UZI-009038
Synonyms N-[4-((7E)-7-[4-(dimethylamino)benzylidene]-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazol-3-yl)phenyl]-N,N-dimethylamine4-(7-[4-(dimethylamino)benzylidene]-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazol-3-yl)-N,N-dimethylaniline
Temperature 308 °C