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3H-pyrazol-3-one, 2-(2-benzothiazolyl)-4-[[(3-fluorophenyl)amino]methylene]-2,4-dihydro-5-(trifluoromethyl)-, (4E)-
SpectraBase Compound ID Cb24VUughUi
InChI InChI=1S/C18H10F4N4OS/c19-10-4-3-5-11(8-10)23-9-12-15(18(20,21)22)25-26(16(12)27)17-24-13-6-1-2-7-14(13)28-17/h1-9,23H/b12-9+
InChIKey UMTLWDHWXVSACI-FMIVXFBMSA-N
Mol Weight 406.36 g/mol
Molecular Formula C18H10F4N4OS
Exact Mass 406.051145 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G5KQOuT0Bdb
Name 3H-pyrazol-3-one, 2-(2-benzothiazolyl)-4-[[(3-fluorophenyl)amino]methylene]-2,4-dihydro-5-(trifluoromethyl)-, (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/C18H10F4N4OS/c19-10-4-3-5-11(8-10)23-9-12-15(18(20,21)22)25-26(16(12)27)17-24-13-6-1-2-7-14(13)28-17/h1-9,23H/b12-9+
InChIKey UMTLWDHWXVSACI-FMIVXFBMSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1096
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/11228899