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4-[(2,5-dimethylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 3Q7u8imTVuP
InChI InChI=1S/C20H18N4S/c1-14-8-9-15(2)16(10-14)12-25-20-18-11-23-24(19(18)21-13-22-20)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3
InChIKey KLJRQAIRNNFHSO-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 CTutxvN9ClV
Name 4-[(2,5-dimethylbenzyl)sulfanyl]-1-phenyl-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/c1-14-8-9-15(2)16(10-14)12-25-20-18-11-23-24(19(18)21-13-22-20)17-6-4-3-5-7-17/h3-11,13H,12H2,1-2H3
InChIKey KLJRQAIRNNFHSO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9884
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: D62136; Labnumber: UDSG-05787; SBI_ID: SBI-009887
Synonyms 2,5-dimethylbenzyl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
Temperature 315 °C