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2-chlorobenzyl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide

View entire compound with spectra: 1 NMR

2-chlorobenzyl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
SpectraBase Compound ID 8TYFZq6FxLV
InChI InChI=1S/C18H13ClN4S/c19-16-9-5-4-6-13(16)11-24-18-15-10-22-23(17(15)20-12-21-18)14-7-2-1-3-8-14/h1-10,12H,11H2
InChIKey ULQKWGXBPANEBI-UHFFFAOYSA-N
Mol Weight 352.84 g/mol
Molecular Formula C18H13ClN4S
Exact Mass 352.054945 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KysD87AmU24
Name 2-chlorobenzyl 1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
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/C18H13ClN4S/c19-16-9-5-4-6-13(16)11-24-18-15-10-22-23(17(15)20-12-21-18)14-7-2-1-3-8-14/h1-10,12H,11H2
InChIKey ULQKWGXBPANEBI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9873
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: D62123; Labnumber: UDSG-05770; SBI_ID: SBI-009876
Synonyms 4-[(2-chlorobenzyl)sulfanyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
Temperature 315 °C