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N-(2-chloro-4,6-dimethylphenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID IXwakuf8Sp0
InChI InChI=1S/C21H17Cl2N5OS/c1-12-7-13(2)19(17(23)8-12)27-18(29)10-30-21-16-9-26-28(20(16)24-11-25-21)15-5-3-14(22)4-6-15/h3-9,11H,10H2,1-2H3,(H,27,29)
InChIKey TYGLLKKSENLUNF-UHFFFAOYSA-N
Mol Weight 458.37 g/mol
Molecular Formula C21H17Cl2N5OS
Exact Mass 457.053087 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ia7TTJYpGS8
Name N-(2-chloro-4,6-dimethylphenyl)-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/C21H17Cl2N5OS/c1-12-7-13(2)19(17(23)8-12)27-18(29)10-30-21-16-9-26-28(20(16)24-11-25-21)15-5-3-14(22)4-6-15/h3-9,11H,10H2,1-2H3,(H,27,29)
InChIKey TYGLLKKSENLUNF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10005
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: D62374; Labnumber: UDSG-06270; SBI_ID: SBI-010008
Temperature 308 °C