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1-benzyl-4-[(2,5-dimethylbenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID InDRb0fEoJ0
InChI InChI=1S/C21H20N4S/c1-15-8-9-16(2)18(10-15)13-26-21-19-11-24-25(20(19)22-14-23-21)12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3
InChIKey CVESWFKAEWOCHU-UHFFFAOYSA-N
Mol Weight 360.48 g/mol
Molecular Formula C21H20N4S
Exact Mass 360.140868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID bpyIiQMi3p
Name 1-benzyl-4-[(2,5-dimethylbenzyl)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/C21H20N4S/c1-15-8-9-16(2)18(10-15)13-26-21-19-11-24-25(20(19)22-14-23-21)12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3
InChIKey CVESWFKAEWOCHU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26227
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: D62535; Labnumber: UDSG-06771; SBI_ID: SBI-026231
Synonyms 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl 2,5-dimethylbenzyl sulfide
Temperature 308 °C