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N-[4-(aminosulfonyl)phenyl]-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID LRTNzf8ePZC
InChI InChI=1S/C19H15ClN6O3S2/c20-12-1-5-14(6-2-12)26-18-16(9-24-26)19(23-11-22-18)30-10-17(27)25-13-3-7-15(8-4-13)31(21,28)29/h1-9,11H,10H2,(H,25,27)(H2,21,28,29)
InChIKey ZEBICVZNRXZZGI-UHFFFAOYSA-N
Mol Weight 474.94 g/mol
Molecular Formula C19H15ClN6O3S2
Exact Mass 474.033558 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jfwe3ywYlcQ
Name N-[4-(aminosulfonyl)phenyl]-2-{[1-(4-chlorophenyl)-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/C19H15ClN6O3S2/c20-12-1-5-14(6-2-12)26-18-16(9-24-26)19(23-11-22-18)30-10-17(27)25-13-3-7-15(8-4-13)31(21,28)29/h1-9,11H,10H2,(H,25,27)(H2,21,28,29)
InChIKey ZEBICVZNRXZZGI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9980
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: D62318; Labnumber: UDSG-06189; SBI_ID: SBI-009983
Temperature 308 °C