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(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(4-methoxyanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID JSF7lZ4RLd5
InChI InChI=1S/C26H21ClN4O2S2/c1-16(28-18-9-11-19(33-2)12-10-18)24-22(15-34-20-13-7-17(27)8-14-20)30-31(25(24)32)26-29-21-5-3-4-6-23(21)35-26/h3-14,28H,15H2,1-2H3/b24-16+
InChIKey BDQSAXCQCMWFLI-LFVJCYFKSA-N
Mol Weight 521.05 g/mol
Molecular Formula C26H21ClN4O2S2
Exact Mass 520.079446 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9IJsS4yoYVQ
Name (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(4-methoxyanilino)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/C26H21ClN4O2S2/c1-16(28-18-9-11-19(33-2)12-10-18)24-22(15-34-20-13-7-17(27)8-14-20)30-31(25(24)32)26-29-21-5-3-4-6-23(21)35-26/h3-14,28H,15H2,1-2H3/b24-16+
InChIKey BDQSAXCQCMWFLI-LFVJCYFKSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1262
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: 700695VOR8-8605; Labnumber: 700695VOR8-8605; VK_ID: VK-001263
Synonyms 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(4-methoxyanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C