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4-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1-benzyl-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 3pMxUgO2WC7
InChI InChI=1S/C20H16N6S/c1-2-6-14(7-3-1)11-26-19-15(10-23-26)20(22-13-21-19)27-12-18-24-16-8-4-5-9-17(16)25-18/h1-10,13H,11-12H2,(H,24,25)
InChIKey PJYOJYHBKFKUFA-UHFFFAOYSA-N
Mol Weight 372.45 g/mol
Molecular Formula C20H16N6S
Exact Mass 372.115716 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4wenOepFvUp
Name 4-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1-benzyl-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/C20H16N6S/c1-2-6-14(7-3-1)11-26-19-15(10-23-26)20(22-13-21-19)27-12-18-24-16-8-4-5-9-17(16)25-18/h1-10,13H,11-12H2,(H,24,25)
InChIKey PJYOJYHBKFKUFA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26207
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: D62511; Labnumber: UDSG-06736; SBI_ID: SBI-026211
Synonyms 1H-benzimidazol-2-ylmethyl 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
Temperature 308 °C