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4-[(2,6-dichlorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID ITRi6z7cRVx
InChI InChI=1S/C19H14Cl2N4S/c1-12-5-7-13(8-6-12)25-18-14(9-24-25)19(23-11-22-18)26-10-15-16(20)3-2-4-17(15)21/h2-9,11H,10H2,1H3
InChIKey BJXQTWRCFKLYCI-UHFFFAOYSA-N
Mol Weight 401.32 g/mol
Molecular Formula C19H14Cl2N4S
Exact Mass 400.031623 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K50OPWWhBbt
Name 4-[(2,6-dichlorobenzyl)sulfanyl]-1-(4-methylphenyl)-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/C19H14Cl2N4S/c1-12-5-7-13(8-6-12)25-18-14(9-24-25)19(23-11-22-18)26-10-15-16(20)3-2-4-17(15)21/h2-9,11H,10H2,1H3
InChIKey BJXQTWRCFKLYCI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9938
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: D62223; Labnumber: UDSG-05899; SBI_ID: SBI-009941
Synonyms 2,6-dichlorobenzyl 1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
Temperature 315 °C