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acetamide, 2-[(3,4-dihydro-4-oxo-8-phenylpyrazolo[1,5-a][1,3,5]triazin-2-yl)thio]-N-[2-(1H-indol-3-yl)ethyl]-
SpectraBase Compound ID 5LHbbK0Lb6s
InChI InChI=1S/C23H20N6O2S/c30-20(24-11-10-16-12-25-19-9-5-4-8-17(16)19)14-32-22-27-21-18(15-6-2-1-3-7-15)13-26-29(21)23(31)28-22/h1-9,12-13,25H,10-11,14H2,(H,24,30)(H,27,28,31)
InChIKey COVVFGKNKXBOKT-UHFFFAOYSA-N
Mol Weight 444.51 g/mol
Molecular Formula C23H20N6O2S
Exact Mass 444.136845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2xralfMiSo8
Name acetamide, 2-[(3,4-dihydro-4-oxo-8-phenylpyrazolo[1,5-a][1,3,5]triazin-2-yl)thio]-N-[2-(1H-indol-3-yl)ethyl]-
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/C23H20N6O2S/c30-20(24-11-10-16-12-25-19-9-5-4-8-17(16)19)14-32-22-27-21-18(15-6-2-1-3-7-15)13-26-29(21)23(31)28-22/h1-9,12-13,25H,10-11,14H2,(H,24,30)(H,27,28,31)
InChIKey COVVFGKNKXBOKT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3486
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/16322347; Labnumber: DUD-701256