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2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
SpectraBase Compound ID LUY46rHaU1N
InChI InChI=1S/C21H19ClN6OS/c1-27(2)16-9-5-15(6-10-16)26-19(29)12-30-21-18-11-25-28(20(18)23-13-24-21)17-7-3-14(22)4-8-17/h3-11,13H,12H2,1-2H3,(H,26,29)
InChIKey VOKBJVVHJHFYNQ-UHFFFAOYSA-N
Mol Weight 438.94 g/mol
Molecular Formula C21H19ClN6OS
Exact Mass 438.102958 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ofFauPXLcp
Name 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
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/C21H19ClN6OS/c1-27(2)16-9-5-15(6-10-16)26-19(29)12-30-21-18-11-25-28(20(18)23-13-24-21)17-7-3-14(22)4-8-17/h3-11,13H,12H2,1-2H3,(H,26,29)
InChIKey VOKBJVVHJHFYNQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9986
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: D62324; Labnumber: UDSG-06200; SBI_ID: SBI-009989
Temperature 308 °C