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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
SpectraBase Compound ID Bncp2Qgagfg
InChI InChI=1S/C21H19N5O2S/c1-28-18-10-6-5-9-17(18)25-19(27)13-29-21-16-11-24-26(20(16)22-14-23-21)12-15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3,(H,25,27)
InChIKey WJTTWCWHVLFNIZ-UHFFFAOYSA-N
Mol Weight 405.48 g/mol
Molecular Formula C21H19N5O2S
Exact Mass 405.125946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eh0uMcXop6F
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-methoxyphenyl)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/C21H19N5O2S/c1-28-18-10-6-5-9-17(18)25-19(27)13-29-21-16-11-24-26(20(16)22-14-23-21)12-15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3,(H,25,27)
InChIKey WJTTWCWHVLFNIZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10054
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: D62478; Labnumber: UDSG-06687; SBI_ID: SBI-010057
Temperature 318 °C