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1-benzyl-4-[(4-bromobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine

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1-benzyl-4-[(4-bromobenzyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 2sKnRHjSPCK
InChI InChI=1S/C19H15BrN4S/c20-16-8-6-15(7-9-16)12-25-19-17-10-23-24(18(17)21-13-22-19)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2
InChIKey KBXRFAJWPNTBDH-UHFFFAOYSA-N
Mol Weight 411.32 g/mol
Molecular Formula C19H15BrN4S
Exact Mass 410.020081 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9HwIoQC5Kvf
Name 1-benzyl-4-[(4-bromobenzyl)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/C19H15BrN4S/c20-16-8-6-15(7-9-16)12-25-19-17-10-23-24(18(17)21-13-22-19)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2
InChIKey KBXRFAJWPNTBDH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26212
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: D62519; Labnumber: UDSG-06750; SBI_ID: SBI-026216
Synonyms 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl 4-bromobenzyl sulfide
Temperature 308 °C