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2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
SpectraBase Compound ID 44SBKjizjRW
InChI InChI=1S/C20H16ClN5O2S/c1-28-17-5-3-2-4-16(17)25-18(27)11-29-20-15-10-24-26(19(15)22-12-23-20)14-8-6-13(21)7-9-14/h2-10,12H,11H2,1H3,(H,25,27)
InChIKey MQZNVKDTSOMDHB-UHFFFAOYSA-N
Mol Weight 425.89 g/mol
Molecular Formula C20H16ClN5O2S
Exact Mass 425.071324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2uFzwVKlRMG
Name 2-{[1-(4-chlorophenyl)-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/C20H16ClN5O2S/c1-28-17-5-3-2-4-16(17)25-18(27)11-29-20-15-10-24-26(19(15)22-12-23-20)14-8-6-13(21)7-9-14/h2-10,12H,11H2,1H3,(H,25,27)
InChIKey MQZNVKDTSOMDHB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9983
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: D62321; Labnumber: UDSG-06195; SBI_ID: SBI-009986
Temperature 308 °C