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2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-3-pyridinylmethyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 6wGLGjHhsbo
InChI InChI=1S/C18H12F3N5OS/c19-18(20,21)15-12(10-23-9-11-4-3-7-22-8-11)16(27)26(25-15)17-24-13-5-1-2-6-14(13)28-17/h1-8,10,25H,9H2/b23-10+
InChIKey ALMNXFVOOZCMLA-AUEPDCJTSA-N
Mol Weight 403.38 g/mol
Molecular Formula C18H12F3N5OS
Exact Mass 403.071466 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EVaBoHyCZLW
Name 2-(1,3-benzothiazol-2-yl)-4-((E)-{[(E)-3-pyridinylmethyl]imino}methyl)-5-(trifluoromethyl)-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/C18H12F3N5OS/c19-18(20,21)15-12(10-23-9-11-4-3-7-22-8-11)16(27)26(25-15)17-24-13-5-1-2-6-14(13)28-17/h1-8,10,25H,9H2/b23-10+
InChIKey ALMNXFVOOZCMLA-AUEPDCJTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_817
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: UZI/6200787; UBI_ID: UBI-000818
Synonyms 2-(1,3-benzothiazol-2-yl)-4-({[3-pyridinylmethyl]imino}methyl)-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 318 °C