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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-[4-(trifluoromethyl)phenyl]-

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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-[4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 7QpGjD5Il79
InChI InChI=1S/C20H13F4N5O2S/c21-13-5-1-11(2-6-13)15-9-25-29-17(15)27-18(28-19(29)31)32-10-16(30)26-14-7-3-12(4-8-14)20(22,23)24/h1-9H,10H2,(H,26,30)(H,27,28,31)
InChIKey NOVYNKMRDGIXEJ-UHFFFAOYSA-N
Mol Weight 463.41 g/mol
Molecular Formula C20H13F4N5O2S
Exact Mass 463.072609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D5Cj3mSSsLe
Name acetamide, 2-[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]-N-[4-(trifluoromethyl)phenyl]-
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/C20H13F4N5O2S/c21-13-5-1-11(2-6-13)15-9-25-29-17(15)27-18(28-19(29)31)32-10-16(30)26-14-7-3-12(4-8-14)20(22,23)24/h1-9H,10H2,(H,26,30)(H,27,28,31)
InChIKey NOVYNKMRDGIXEJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4755
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/16322342; Labnumber: DUD-701093