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1-benzyl-4-[(2,4-dichlorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 46oilTlOoqK
InChI InChI=1S/C19H14Cl2N4S/c20-15-7-6-14(17(21)8-15)11-26-19-16-9-24-25(18(16)22-12-23-19)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKey CYAAAPHILYRMGH-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 CFkBxotB87w
Name 1-benzyl-4-[(2,4-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/c20-15-7-6-14(17(21)8-15)11-26-19-16-9-24-25(18(16)22-12-23-19)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKey CYAAAPHILYRMGH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26234
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: D62545; Labnumber: UDSG-06782; SBI_ID: SBI-026238
Synonyms 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl 2,4-dichlorobenzyl sulfide
Temperature 308 °C