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

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(7E)-2-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
SpectraBase Compound ID 5qgkwZA66jq
InChI InChI=1S/C28H29ClN4O/c1-4-32-17-24(29)26(30-32)28(34)33-27(21-14-10-19(3)11-15-21)23-7-5-6-22(25(23)31-33)16-20-12-8-18(2)9-13-20/h8-17,23,27H,4-7H2,1-3H3/b22-16+
InChIKey FWGMVVWNDFIOIP-CJLVFECKSA-N
Mol Weight 473.02 g/mol
Molecular Formula C28H29ClN4O
Exact Mass 472.202989 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IY19JYgRcY
Name (7E)-2-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-7-(4-methylbenzylidene)-3-(4-methylphenyl)-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/C28H29ClN4O/c1-4-32-17-24(29)26(30-32)28(34)33-27(21-14-10-19(3)11-15-21)23-7-5-6-22(25(23)31-33)16-20-12-8-18(2)9-13-20/h8-17,23,27H,4-7H2,1-3H3/b22-16+
InChIKey FWGMVVWNDFIOIP-CJLVFECKSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14633
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/1019846; UBI_ID: UBI-014636
Synonyms 2-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole
Temperature 300 °C