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acetamide, N-[2-(4-chlorophenyl)ethyl]-2-[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]-
SpectraBase Compound ID 3jhfF6abEKl
InChI InChI=1S/C21H17ClFN5O2S/c22-15-5-1-13(2-6-15)9-10-24-18(29)12-31-20-26-19-17(11-25-28(19)21(30)27-20)14-3-7-16(23)8-4-14/h1-8,11H,9-10,12H2,(H,24,29)(H,26,27,30)
InChIKey SCACWGUIVULRHC-UHFFFAOYSA-N
Mol Weight 457.91 g/mol
Molecular Formula C21H17ClFN5O2S
Exact Mass 457.077552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8g6lEHGe5VX
Name acetamide, N-[2-(4-chlorophenyl)ethyl]-2-[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]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/C21H17ClFN5O2S/c22-15-5-1-13(2-6-15)9-10-24-18(29)12-31-20-26-19-17(11-25-28(19)21(30)27-20)14-3-7-16(23)8-4-14/h1-8,11H,9-10,12H2,(H,24,29)(H,26,27,30)
InChIKey SCACWGUIVULRHC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4731
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/16322274; Labnumber: DUD-701035