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1-benzyl-4-[(3,4-dichlorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 8sil2tmhuT1
InChI InChI=1S/C19H14Cl2N4S/c20-16-7-6-14(8-17(16)21)11-26-19-15-9-24-25(18(15)22-12-23-19)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKey PISCBUDCEISLQU-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 FxvsQWNZ8ZI
Name 1-benzyl-4-[(3,4-dichlorobenzyl)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/C19H14Cl2N4S/c20-16-7-6-14(8-17(16)21)11-26-19-15-9-24-25(18(15)22-12-23-19)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKey PISCBUDCEISLQU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10062
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: D62489; Labnumber: UDSG-06700; SBI_ID: SBI-010065
Synonyms 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl 3,4-dichlorobenzyl sulfide
Temperature 318 °C