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pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one, 8-(4-fluorophenyl)-2-[[[3-(trifluoromethyl)phenyl]methyl]thio]-
SpectraBase Compound ID 2eLVBpJIrFg
InChI InChI=1S/C19H12F4N4OS/c20-14-6-4-12(5-7-14)15-9-24-27-16(15)25-17(26-18(27)28)29-10-11-2-1-3-13(8-11)19(21,22)23/h1-9H,10H2,(H,25,26,28)
InChIKey CDTNAHAQUPCUPQ-UHFFFAOYSA-N
Mol Weight 420.39 g/mol
Molecular Formula C19H12F4N4OS
Exact Mass 420.066795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LHlx92r5l12
Name pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one, 8-(4-fluorophenyl)-2-[[[3-(trifluoromethyl)phenyl]methyl]thio]-
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/C19H12F4N4OS/c20-14-6-4-12(5-7-14)15-9-24-27-16(15)25-17(26-18(27)28)29-10-11-2-1-3-13(8-11)19(21,22)23/h1-9H,10H2,(H,25,26,28)
InChIKey CDTNAHAQUPCUPQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4736
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/16322289; Labnumber: DUD-701029