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benzoic acid, 4-[[[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]acetyl]amino]-, ethyl ester

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benzoic acid, 4-[[[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID HsWDxqKMTyL
InChI InChI=1S/C22H18FN5O4S/c1-2-32-20(30)14-5-9-16(10-6-14)25-18(29)12-33-21-26-19-17(11-24-28(19)22(31)27-21)13-3-7-15(23)8-4-13/h3-11H,2,12H2,1H3,(H,25,29)(H,26,27,31)
InChIKey KYQQUIVMQHROKY-UHFFFAOYSA-N
Mol Weight 467.48 g/mol
Molecular Formula C22H18FN5O4S
Exact Mass 467.106353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQoTtLiKdbg
Name benzoic acid, 4-[[[[8-(4-fluorophenyl)-3,4-dihydro-4-oxopyrazolo[1,5-a][1,3,5]triazin-2-yl]thio]acetyl]amino]-, ethyl ester
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/C22H18FN5O4S/c1-2-32-20(30)14-5-9-16(10-6-14)25-18(29)12-33-21-26-19-17(11-24-28(19)22(31)27-21)13-3-7-15(23)8-4-13/h3-11H,2,12H2,1H3,(H,25,29)(H,26,27,31)
InChIKey KYQQUIVMQHROKY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4750
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/16322313; Labnumber: DUD-701146