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2-(1,3-benzothiazol-2-yl)-4-[(E)-(cycloheptylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

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2-(1,3-benzothiazol-2-yl)-4-[(E)-(cycloheptylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID D3SQSs5dyyX
InChI InChI=1S/C19H19F3N4OS/c20-19(21,22)16-13(11-23-12-7-3-1-2-4-8-12)17(27)26(25-16)18-24-14-9-5-6-10-15(14)28-18/h5-6,9-12,25H,1-4,7-8H2/b23-11+
InChIKey LOBOVLKSMAMAIN-FOKLQQMPSA-N
Mol Weight 408.44 g/mol
Molecular Formula C19H19F3N4OS
Exact Mass 408.123167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JlDOeoTO58t
Name 2-(1,3-benzothiazol-2-yl)-4-[(E)-(cycloheptylimino)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/C19H19F3N4OS/c20-19(21,22)16-13(11-23-12-7-3-1-2-4-8-12)17(27)26(25-16)18-24-14-9-5-6-10-15(14)28-18/h5-6,9-12,25H,1-4,7-8H2/b23-11+
InChIKey LOBOVLKSMAMAIN-FOKLQQMPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1208
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/7106468; UBI_ID: UBI-001209
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[(cycloheptylimino)methyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 308 °C