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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SpectraBase Compound ID KlXTwweekxv
InChI InChI=1S/C21H19N5OS/c1-15-6-5-9-17(10-15)25-19(27)13-28-21-18-11-24-26(20(18)22-14-23-21)12-16-7-3-2-4-8-16/h2-11,14H,12-13H2,1H3,(H,25,27)
InChIKey HHHOJCXSLBKFSN-UHFFFAOYSA-N
Mol Weight 389.48 g/mol
Molecular Formula C21H19N5OS
Exact Mass 389.131031 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5MFTXysdbAu
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
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/C21H19N5OS/c1-15-6-5-9-17(10-15)25-19(27)13-28-21-18-11-24-26(20(18)22-14-23-21)12-16-7-3-2-4-8-16/h2-11,14H,12-13H2,1H3,(H,25,27)
InChIKey HHHOJCXSLBKFSN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10068
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: D62495; Labnumber: UDSG-06707; SBI_ID: SBI-010071
Temperature 318 °C