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4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide
SpectraBase Compound ID GncLgqgo7wR
InChI InChI=1S/C21H18N6O2S/c22-19(29)15-6-8-16(9-7-15)26-18(28)12-30-21-17-10-25-27(20(17)23-13-24-21)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H2,22,29)(H,26,28)
InChIKey IMFSVZFGWHASQD-UHFFFAOYSA-N
Mol Weight 418.48 g/mol
Molecular Formula C21H18N6O2S
Exact Mass 418.121195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HMfFampprbp
Name 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzamide
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/C21H18N6O2S/c22-19(29)15-6-8-16(9-7-15)26-18(28)12-30-21-17-10-25-27(20(17)23-13-24-21)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H2,22,29)(H,26,28)
InChIKey IMFSVZFGWHASQD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10041
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: D62464; Labnumber: UDSG-06670; SBI_ID: SBI-010044
Temperature 318 °C