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N-(3-chloro-2-methylphenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID JaYStRMHY7T
InChI InChI=1S/C20H15Cl2N5OS/c1-12-16(22)3-2-4-17(12)26-18(28)10-29-20-15-9-25-27(19(15)23-11-24-20)14-7-5-13(21)6-8-14/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey GJIWJQCQZSVHAJ-UHFFFAOYSA-N
Mol Weight 444.34 g/mol
Molecular Formula C20H15Cl2N5OS
Exact Mass 443.037437 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A7YXuNvciyv
Name N-(3-chloro-2-methylphenyl)-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/C20H15Cl2N5OS/c1-12-16(22)3-2-4-17(12)26-18(28)10-29-20-15-9-25-27(19(15)23-11-24-20)14-7-5-13(21)6-8-14/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey GJIWJQCQZSVHAJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10009
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: D62383; Labnumber: UDSG-06282; SBI_ID: SBI-010012
Temperature 308 °C