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2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-3-(1H-imidazol-1-yl)propyl]imino}methyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 7ySGtJufAgc
InChI InChI=1S/C23H20N6OS/c30-22-18(15-24-11-6-13-28-14-12-25-16-28)21(17-7-2-1-3-8-17)27-29(22)23-26-19-9-4-5-10-20(19)31-23/h1-5,7-10,12,14-16,27H,6,11,13H2/b24-15+
InChIKey GZQYESSLMYRTQL-BUVRLJJBSA-N
Mol Weight 428.51 g/mol
Molecular Formula C23H20N6OS
Exact Mass 428.14193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7zBeMBVBocv
Name 2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-3-(1H-imidazol-1-yl)propyl]imino}methyl)-5-phenyl-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/C23H20N6OS/c30-22-18(15-24-11-6-13-28-14-12-25-16-28)21(17-7-2-1-3-8-17)27-29(22)23-26-19-9-4-5-10-20(19)31-23/h1-5,7-10,12,14-16,27H,6,11,13H2/b24-15+
InChIKey GZQYESSLMYRTQL-BUVRLJJBSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_458
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: 602299VOR8-8402; Labnumber: 602299VOR8-8402; VK_ID: VK-000459
Synonyms 2-(1,3-benzothiazol-2-yl)-4-({[3-(1H-imidazol-1-yl)propyl]imino}methyl)-5-phenyl-1,2-dihydro-3H-pyrazol-3-one
Temperature 313 °C