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acetamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-2-[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]-
SpectraBase Compound ID LJrnh1OPZcV
InChI InChI=1S/C21H19FN6O4S2/c22-15-5-3-14(4-6-15)17-11-25-28-19(17)26-20(27-21(28)30)33-12-18(29)24-10-9-13-1-7-16(8-2-13)34(23,31)32/h1-8,11H,9-10,12H2,(H,24,29)(H2,23,31,32)(H,26,27,30)
InChIKey XHIHCUMJOJXHNO-UHFFFAOYSA-N
Mol Weight 502.54 g/mol
Molecular Formula C21H19FN6O4S2
Exact Mass 502.089324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bv3k8sXM3AY
Name acetamide, N-[2-[4-(aminosulfonyl)phenyl]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/C21H19FN6O4S2/c22-15-5-3-14(4-6-15)17-11-25-28-19(17)26-20(27-21(28)30)33-12-18(29)24-10-9-13-1-7-16(8-2-13)34(23,31)32/h1-8,11H,9-10,12H2,(H,24,29)(H2,23,31,32)(H,26,27,30)
InChIKey XHIHCUMJOJXHNO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4749
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/16322312; Labnumber: DUD-701145