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(7E)-7-(4-chlorobenzylidene)-2-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole

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(7E)-7-(4-chlorobenzylidene)-2-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
SpectraBase Compound ID 8mpIo48cFoG
InChI InChI=1S/C26H23Cl3N4O/c1-2-32-15-22(29)24(30-32)26(34)33-25(17-8-12-20(28)13-9-17)21-5-3-4-18(23(21)31-33)14-16-6-10-19(27)11-7-16/h6-15,21,25H,2-5H2,1H3/b18-14+
InChIKey SOUHQUVNGYFOKF-NBVRZTHBSA-N
Mol Weight 513.86 g/mol
Molecular Formula C26H23Cl3N4O
Exact Mass 512.093744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4wer8YCa3aA
Name (7E)-7-(4-chlorobenzylidene)-2-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-(4-chlorophenyl)-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/C26H23Cl3N4O/c1-2-32-15-22(29)24(30-32)26(34)33-25(17-8-12-20(28)13-9-17)21-5-3-4-18(23(21)31-33)14-16-6-10-19(27)11-7-16/h6-15,21,25H,2-5H2,1H3/b18-14+
InChIKey SOUHQUVNGYFOKF-NBVRZTHBSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14671
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/1019940; UBI_ID: UBI-014674
Synonyms 7-(4-chlorobenzylidene)-2-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature 300 °C