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(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazole

View entire compound with spectra: 1 NMR

(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazole
SpectraBase Compound ID 2RsWUExdI5P
InChI InChI=1S/C31H33F3N4O5/c1-18-13-27(31(32,33)34)35-37(18)17-28(39)38-30(21-10-12-24(41-3)26(16-21)43-5)22-8-6-7-20(29(22)36-38)14-19-9-11-23(40-2)25(15-19)42-4/h9-16,22,30H,6-8,17H2,1-5H3/b20-14+
InChIKey WUPIDYIBIUZNCE-XSFVSMFZSA-N
Mol Weight 598.6 g/mol
Molecular Formula C31H33F3N4O5
Exact Mass 598.240305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DxbcSCiSItE
Name (7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazole
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/C31H33F3N4O5/c1-18-13-27(31(32,33)34)35-37(18)17-28(39)38-30(21-10-12-24(41-3)26(16-21)43-5)22-8-6-7-20(29(22)36-38)14-19-9-11-23(40-2)25(15-19)42-4/h9-16,22,30H,6-8,17H2,1-5H3/b20-14+
InChIKey WUPIDYIBIUZNCE-XSFVSMFZSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9035
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/1025329; Labnumber: Gbb0215; UZI_ID: UZI-009037
Synonyms 7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature 308 °C