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2-(1,3-benzothiazol-2-yl)-5-propyl-4-{(E)-[(E)-propylimino]methyl}-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID Kou1kh7D2IG
InChI InChI=1S/C17H20N4OS/c1-3-7-13-12(11-18-10-4-2)16(22)21(20-13)17-19-14-8-5-6-9-15(14)23-17/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3/b18-11+
InChIKey OXAVFNXLAFGGGF-WOJGMQOQSA-N
Mol Weight 328.43 g/mol
Molecular Formula C17H20N4OS
Exact Mass 328.135782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JU6UvYGj9Ni
Name 2-(1,3-benzothiazol-2-yl)-5-propyl-4-{(E)-[(E)-propylimino]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/C17H20N4OS/c1-3-7-13-12(11-18-10-4-2)16(22)21(20-13)17-19-14-8-5-6-9-15(14)23-17/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3/b18-11+
InChIKey OXAVFNXLAFGGGF-WOJGMQOQSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6845
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: 124427; Labnumber: VGU-09659; VK_ID: VK-006849
Synonyms 2-(1,3-benzothiazol-2-yl)-5-propyl-4-{[propylimino]methyl}-1,2-dihydro-3H-pyrazol-3-one
Temperature 308 °C