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acetamide, 2-[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]-N-(2,2,2-trifluoroethyl)-
SpectraBase Compound ID DYeaEDkchxH
InChI InChI=1S/C15H11F4N5O2S/c16-9-3-1-8(2-4-9)10-5-21-24-12(10)22-13(23-14(24)26)27-6-11(25)20-7-15(17,18)19/h1-5H,6-7H2,(H,20,25)(H,22,23,26)
InChIKey JFMORUAQKLYKJQ-UHFFFAOYSA-N
Mol Weight 401.34 g/mol
Molecular Formula C15H11F4N5O2S
Exact Mass 401.056958 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LG2xDIQi2Ot
Name acetamide, 2-[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]-N-(2,2,2-trifluoroethyl)-
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/C15H11F4N5O2S/c16-9-3-1-8(2-4-9)10-5-21-24-12(10)22-13(23-14(24)26)27-6-11(25)20-7-15(17,18)19/h1-5H,6-7H2,(H,20,25)(H,22,23,26)
InChIKey JFMORUAQKLYKJQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4747
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/16322308; Labnumber: DUD-701069