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4-[(3,4-dichlorobenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 9m23UMk34MP
InChI InChI=1S/C19H14Cl2N4S/c1-12-2-5-14(6-3-12)25-18-15(9-24-25)19(23-11-22-18)26-10-13-4-7-16(20)17(21)8-13/h2-9,11H,10H2,1H3
InChIKey DPYZNRNCBBPIGZ-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 GgjJurf3cgv
Name 4-[(3,4-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/c1-12-2-5-14(6-3-12)25-18-15(9-24-25)19(23-11-22-18)26-10-13-4-7-16(20)17(21)8-13/h2-9,11H,10H2,1H3
InChIKey DPYZNRNCBBPIGZ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9929
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: D62209; Labnumber: UDSG-05880; SBI_ID: SBI-009932
Synonyms 3,4-dichlorobenzyl 1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
Temperature 315 °C