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1-benzyl-4-[(2-chlorobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID F35C8x2sYUJ
InChI InChI=1S/C19H15ClN4S/c20-17-9-5-4-8-15(17)12-25-19-16-10-23-24(18(16)21-13-22-19)11-14-6-2-1-3-7-14/h1-10,13H,11-12H2
InChIKey QXDBMSFRQIWVCS-UHFFFAOYSA-N
Mol Weight 366.87 g/mol
Molecular Formula C19H15ClN4S
Exact Mass 366.070595 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KqTkPQqfHZQ
Name 1-benzyl-4-[(2-chlorobenzyl)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/C19H15ClN4S/c20-17-9-5-4-8-15(17)12-25-19-16-10-23-24(18(16)21-13-22-19)11-14-6-2-1-3-7-14/h1-10,13H,11-12H2
InChIKey QXDBMSFRQIWVCS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26215
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: D62522; Labnumber: UDSG-06754; SBI_ID: SBI-026219
Synonyms 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl 2-chlorobenzyl sulfide
Temperature 308 °C