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N-(1,3-benzodioxol-5-yl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID 77P7BbxowKr
InChI InChI=1S/C21H17N5O3S/c1-13-2-5-15(6-3-13)26-20-16(9-24-26)21(23-11-22-20)30-10-19(27)25-14-4-7-17-18(8-14)29-12-28-17/h2-9,11H,10,12H2,1H3,(H,25,27)
InChIKey XBDXMWZNRGFFLU-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C21H17N5O3S
Exact Mass 419.105211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IYt3D7CHz4c
Name N-(1,3-benzodioxol-5-yl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}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/C21H17N5O3S/c1-13-2-5-15(6-3-13)26-20-16(9-24-26)21(23-11-22-20)30-10-19(27)25-14-4-7-17-18(8-14)29-12-28-17/h2-9,11H,10,12H2,1H3,(H,25,27)
InChIKey XBDXMWZNRGFFLU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9910
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: D62181; Labnumber: UDSG-05846; SBI_ID: SBI-009913
Temperature 315 °C