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3H-pyrazol-3-one, 2-(2-benzothiazolyl)-2,4-dihydro-4-[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]methylene]-5-phenyl-, (4E)-
SpectraBase Compound ID 5qxatRkv9Kh
InChI InChI=1S/C24H23N5O2S/c30-21-12-6-14-28(21)15-7-13-25-16-18-22(17-8-2-1-3-9-17)27-29(23(18)31)24-26-19-10-4-5-11-20(19)32-24/h1-5,8-11,16,25H,6-7,12-15H2/b18-16+
InChIKey PKKQJLBWRUPEKU-FBMGVBCBSA-N
Mol Weight 445.54 g/mol
Molecular Formula C24H23N5O2S
Exact Mass 445.157246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G8wfRqSw6VH
Name 3H-pyrazol-3-one, 2-(2-benzothiazolyl)-2,4-dihydro-4-[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]methylene]-5-phenyl-, (4E)-
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/C24H23N5O2S/c30-21-12-6-14-28(21)15-7-13-25-16-18-22(17-8-2-1-3-9-17)27-29(23(18)31)24-26-19-10-4-5-11-20(19)32-24/h1-5,8-11,16,25H,6-7,12-15H2/b18-16+
InChIKey PKKQJLBWRUPEKU-FBMGVBCBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_208
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: NMR/11249954