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4-[(4-tert-butylbenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID LBK5DEfgvdO
InChI InChI=1S/C22H22N4S/c1-22(2,3)17-11-9-16(10-12-17)14-27-21-19-13-25-26(20(19)23-15-24-21)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3
InChIKey HONRFMOKJWSVTH-UHFFFAOYSA-N
Mol Weight 374.51 g/mol
Molecular Formula C22H22N4S
Exact Mass 374.156518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FWZSynv7LlR
Name 4-[(4-tert-butylbenzyl)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/C22H22N4S/c1-22(2,3)17-11-9-16(10-12-17)14-27-21-19-13-25-26(20(19)23-15-24-21)18-7-5-4-6-8-18/h4-13,15H,14H2,1-3H3
InChIKey HONRFMOKJWSVTH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25809
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: D62101; Labnumber: UDSG-05734; SBI_ID: SBI-025813
Synonyms 4-tert-butylbenzyl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
Temperature 318 °C