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N-[5-(acetylamino)-2-methoxyphenyl]-2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID CUC7NYPaAvq
InChI InChI=1S/C23H22N6O3S/c1-15(30)27-17-8-9-20(32-2)19(10-17)28-21(31)13-33-23-18-11-26-29(22(18)24-14-25-23)12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKey ZZPWASYJKDHPEY-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 GoLX0PNS1M4
Name N-[5-(acetylamino)-2-methoxyphenyl]-2-[(1-benzyl-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/c1-15(30)27-17-8-9-20(32-2)19(10-17)28-21(31)13-33-23-18-11-26-29(22(18)24-14-25-23)12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKey ZZPWASYJKDHPEY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10053
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: D62477; Labnumber: UDSG-06683; SBI_ID: SBI-010056
Temperature 318 °C