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(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(2-ethoxyanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID FJjjwD62KD2
InChI InChI=1S/C27H23ClN4O2S2/c1-3-34-23-10-6-4-8-20(23)29-17(2)25-22(16-35-19-14-12-18(28)13-15-19)31-32(26(25)33)27-30-21-9-5-7-11-24(21)36-27/h4-15,29H,3,16H2,1-2H3/b25-17+
InChIKey ZVHNUNSCXFRCPF-KOEQRZSOSA-N
Mol Weight 535.08 g/mol
Molecular Formula C27H23ClN4O2S2
Exact Mass 534.095096 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GkhE9ivWYij
Name (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(2-ethoxyanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
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/C27H23ClN4O2S2/c1-3-34-23-10-6-4-8-20(23)29-17(2)25-22(16-35-19-14-12-18(28)13-15-19)31-32(26(25)33)27-30-21-9-5-7-11-24(21)36-27/h4-15,29H,3,16H2,1-2H3/b25-17+
InChIKey ZVHNUNSCXFRCPF-KOEQRZSOSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13195
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: 102452; Labnumber: VOR8-8606; VK_ID: VK-013200
Synonyms 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(2-ethoxyanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Temperature 313 °C