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N-[5-(acetylamino)-2-methoxyphenyl]-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID L1uv0EWWFn1
InChI InChI=1S/C23H22N6O3S/c1-14-4-7-17(8-5-14)29-22-18(11-26-29)23(25-13-24-22)33-12-21(31)28-19-10-16(27-15(2)30)6-9-20(19)32-3/h4-11,13H,12H2,1-3H3,(H,27,30)(H,28,31)
InChIKey WGEBEIMGOMIHFJ-UHFFFAOYSA-N
Mol Weight 462.53 g/mol
Molecular Formula C23H22N6O3S
Exact Mass 462.14741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gk5r4Nmasmr
Name N-[5-(acetylamino)-2-methoxyphenyl]-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/C23H22N6O3S/c1-14-4-7-17(8-5-14)29-22-18(11-26-29)23(25-13-24-22)33-12-21(31)28-19-10-16(27-15(2)30)6-9-20(19)32-3/h4-11,13H,12H2,1-3H3,(H,27,30)(H,28,31)
InChIKey WGEBEIMGOMIHFJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9923
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: D62197; Labnumber: UDSG-05863; SBI_ID: SBI-009926
Temperature 315 °C