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2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(1-naphthyl)acetamide
SpectraBase Compound ID 2Mbw4HD5jAH
InChI InChI=1S/C23H16ClN5OS/c24-16-8-10-17(11-9-16)29-22-19(12-27-29)23(26-14-25-22)31-13-21(30)28-20-7-3-5-15-4-1-2-6-18(15)20/h1-12,14H,13H2,(H,28,30)
InChIKey XJGJZOYIHBFPKP-UHFFFAOYSA-N
Mol Weight 445.93 g/mol
Molecular Formula C23H16ClN5OS
Exact Mass 445.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G0V2HmrQ1FJ
Name 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(1-naphthyl)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/C23H16ClN5OS/c24-16-8-10-17(11-9-16)29-22-19(12-27-29)23(26-14-25-22)31-13-21(30)28-20-7-3-5-15-4-1-2-6-18(15)20/h1-12,14H,13H2,(H,28,30)
InChIKey XJGJZOYIHBFPKP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9993
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: D62341; Labnumber: UDSG-06219; SBI_ID: SBI-009996
Temperature 308 °C