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1-benzyl-4-[(2-methylbenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 5kQ8xB2Z1K0
InChI InChI=1S/C20H18N4S/c1-15-7-5-6-10-17(15)13-25-20-18-11-23-24(19(18)21-14-22-20)12-16-8-3-2-4-9-16/h2-11,14H,12-13H2,1H3
InChIKey PMJRVNCKAOUGSH-UHFFFAOYSA-N
Mol Weight 346.45 g/mol
Molecular Formula C20H18N4S
Exact Mass 346.125218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hkv1PevWzAk
Name 1-benzyl-4-[(2-methylbenzyl)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/C20H18N4S/c1-15-7-5-6-10-17(15)13-25-20-18-11-23-24(19(18)21-14-22-20)12-16-8-3-2-4-9-16/h2-11,14H,12-13H2,1H3
InChIKey PMJRVNCKAOUGSH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10028
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: D62449; Labnumber: UDSG-06647; SBI_ID: SBI-010031
Synonyms 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl 2-methylbenzyl sulfide
Temperature 318 °C