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4-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]methyl}benzonitrile
SpectraBase Compound ID EI2tocryiFd
InChI InChI=1S/C20H15N5S/c21-10-15-6-8-17(9-7-15)13-26-20-18-11-24-25(19(18)22-14-23-20)12-16-4-2-1-3-5-16/h1-9,11,14H,12-13H2
InChIKey XSEDIJKYOGAYTG-UHFFFAOYSA-N
Mol Weight 357.44 g/mol
Molecular Formula C20H15N5S
Exact Mass 357.104817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6AIx4DmsQya
Name 4-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]methyl}benzonitrile
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/C20H15N5S/c21-10-15-6-8-17(9-7-15)13-26-20-18-11-24-25(19(18)22-14-23-20)12-16-4-2-1-3-5-16/h1-9,11,14H,12-13H2
InChIKey XSEDIJKYOGAYTG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25819
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: D62500; Labnumber: UDSG-06716; SBI_ID: SBI-025823
Temperature 318 °C