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pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one, 2-[[(4-chlorophenyl)methyl]thio]-8-(4-fluorophenyl)-
SpectraBase Compound ID LIbaSmjlU34
InChI InChI=1S/C18H12ClFN4OS/c19-13-5-1-11(2-6-13)10-26-17-22-16-15(9-21-24(16)18(25)23-17)12-3-7-14(20)8-4-12/h1-9H,10H2,(H,22,23,25)
InChIKey BYEDLZSHGHQQMH-UHFFFAOYSA-N
Mol Weight 386.83 g/mol
Molecular Formula C18H12ClFN4OS
Exact Mass 386.040438 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 73YsoLJrBGe
Name pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one, 2-[[(4-chlorophenyl)methyl]thio]-8-(4-fluorophenyl)-
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/C18H12ClFN4OS/c19-13-5-1-11(2-6-13)10-26-17-22-16-15(9-21-24(16)18(25)23-17)12-3-7-14(20)8-4-12/h1-9H,10H2,(H,22,23,25)
InChIKey BYEDLZSHGHQQMH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4492
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/16322288; Labnumber: DUD-701025