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1-(4-chlorophenyl)-4-[(3-methoxybenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 6EImwB8xkEv
InChI InChI=1S/C19H15ClN4OS/c1-25-16-4-2-3-13(9-16)11-26-19-17-10-23-24(18(17)21-12-22-19)15-7-5-14(20)6-8-15/h2-10,12H,11H2,1H3
InChIKey TYAWUCXOSWJFOR-UHFFFAOYSA-N
Mol Weight 382.87 g/mol
Molecular Formula C19H15ClN4OS
Exact Mass 382.06551 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6qanQIiN08d
Name 1-(4-chlorophenyl)-4-[(3-methoxybenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
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/C19H15ClN4OS/c1-25-16-4-2-3-13(9-16)11-26-19-17-10-23-24(18(17)21-12-22-19)15-7-5-14(20)6-8-15/h2-10,12H,11H2,1H3
InChIKey TYAWUCXOSWJFOR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9975
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: D62293; Labnumber: UDSG-06158; SBI_ID: SBI-009978
Synonyms 3-({[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}methyl)phenyl methyl ether
Temperature 315 °C