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

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(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3,3a,4,5,6,7-hexahydro-2H-indazole
SpectraBase Compound ID 4mbxJ1VhZgd
InChI InChI=1S/C25H21Cl2N3OS/c1-15-24(32-14-28-15)25(31)30-23(17-7-11-20(27)12-8-17)21-4-2-3-18(22(21)29-30)13-16-5-9-19(26)10-6-16/h5-14,21,23H,2-4H2,1H3/b18-13+
InChIKey DTXFEEUVMGCCRQ-QGOAFFKASA-N
Mol Weight 482.43 g/mol
Molecular Formula C25H21Cl2N3OS
Exact Mass 481.078239 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hm6s5OVvbz2
Name (7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-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/C25H21Cl2N3OS/c1-15-24(32-14-28-15)25(31)30-23(17-7-11-20(27)12-8-17)21-4-2-3-18(22(21)29-30)13-16-5-9-19(26)10-6-16/h5-14,21,23H,2-4H2,1H3/b18-13+
InChIKey DTXFEEUVMGCCRQ-QGOAFFKASA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9008
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/1025681; Labnumber: GBB0167; UZI_ID: UZI-009010
Synonyms 7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature 308 °C