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acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]-
SpectraBase Compound ID 10cJKvB9tuG
InChI InChI=1S/C22H16FN5O5S/c1-11(29)14-6-17-18(33-10-32-17)7-16(14)25-19(30)9-34-21-26-20-15(8-24-28(20)22(31)27-21)12-2-4-13(23)5-3-12/h2-8H,9-10H2,1H3,(H,25,30)(H,26,27,31)
InChIKey NAAITOMDISXSRA-UHFFFAOYSA-N
Mol Weight 481.46 g/mol
Molecular Formula C22H16FN5O5S
Exact Mass 481.085618 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KP3TCWQNzfR
Name acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-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/C22H16FN5O5S/c1-11(29)14-6-17-18(33-10-32-17)7-16(14)25-19(30)9-34-21-26-20-15(8-24-28(20)22(31)27-21)12-2-4-13(23)5-3-12/h2-8H,9-10H2,1H3,(H,25,30)(H,26,27,31)
InChIKey NAAITOMDISXSRA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4741
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/16322296; Labnumber: DUD-701046