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methyl 3-({[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}methyl)phenyl ether
SpectraBase Compound ID HfJ9NAXVXKT
InChI InChI=1S/C20H18N4OS/c1-14-6-8-16(9-7-14)24-19-18(11-23-24)20(22-13-21-19)26-12-15-4-3-5-17(10-15)25-2/h3-11,13H,12H2,1-2H3
InChIKey UZMRKCKCNBHWBD-UHFFFAOYSA-N
Mol Weight 362.45 g/mol
Molecular Formula C20H18N4OS
Exact Mass 362.120132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7bRnBgTFr44
Name methyl 3-({[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}methyl)phenyl ether
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/C20H18N4OS/c1-14-6-8-16(9-7-14)24-19-18(11-23-24)20(22-13-21-19)26-12-15-4-3-5-17(10-15)25-2/h3-11,13H,12H2,1-2H3
InChIKey UZMRKCKCNBHWBD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9905
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: D62171; Labnumber: UDSG-05830; SBI_ID: SBI-009908
Synonyms 4-[(3-methoxybenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
Temperature 315 °C