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2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-((E)-{[(E)-3-hydroxypropyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one

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2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-((E)-{[(E)-3-hydroxypropyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID IMBz7d0bgOZ
InChI InChI=1S/C21H19ClN4O2S2/c22-14-6-8-15(9-7-14)29-13-18-16(12-23-10-3-11-27)20(28)26(25-18)21-24-17-4-1-2-5-19(17)30-21/h1-2,4-9,12,25,27H,3,10-11,13H2/b23-12+
InChIKey HQJGZNAVSOXLPV-FSJBWODESA-N
Mol Weight 458.98 g/mol
Molecular Formula C21H19ClN4O2S2
Exact Mass 458.063796 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7bAHYjDpN5Z
Name 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-((E)-{[(E)-3-hydroxypropyl]imino}methyl)-1,2-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/C21H19ClN4O2S2/c22-14-6-8-15(9-7-14)29-13-18-16(12-23-10-3-11-27)20(28)26(25-18)21-24-17-4-1-2-5-19(17)30-21/h1-2,4-9,12,25,27H,3,10-11,13H2/b23-12+
InChIKey HQJGZNAVSOXLPV-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13246
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: 102451; Labnumber: VOR8-8593; VK_ID: VK-013251
Synonyms 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-({[3-hydroxypropyl]imino}methyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 318 °C