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3-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]methyl}phenyl methyl ether
SpectraBase Compound ID JnLqwBGBG7O
InChI InChI=1S/C20H18N4OS/c1-25-17-9-5-8-16(10-17)13-26-20-18-11-23-24(19(18)21-14-22-20)12-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3
InChIKey PHYBEKMRWBQCQO-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 HpDk34pNL86
Name 3-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]methyl}phenyl methyl 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/c1-25-17-9-5-8-16(10-17)13-26-20-18-11-23-24(19(18)21-14-22-20)12-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3
InChIKey PHYBEKMRWBQCQO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10030
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: D62451; Labnumber: UDSG-06650; SBI_ID: SBI-010033
Synonyms 1-benzyl-4-[(3-methoxybenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
Temperature 318 °C