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N-[5-(acetylamino)-2-methoxyphenyl]-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID B5PZHpz7K0Q
InChI InChI=1S/C22H19ClN6O3S/c1-13(30)27-15-5-8-19(32-2)18(9-15)28-20(31)11-33-22-17-10-26-29(21(17)24-12-25-22)16-6-3-14(23)4-7-16/h3-10,12H,11H2,1-2H3,(H,27,30)(H,28,31)
InChIKey XMGNQWZTRIEHDH-UHFFFAOYSA-N
Mol Weight 482.95 g/mol
Molecular Formula C22H19ClN6O3S
Exact Mass 482.092787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID m68z0CKjzh
Name N-[5-(acetylamino)-2-methoxyphenyl]-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/C22H19ClN6O3S/c1-13(30)27-15-5-8-19(32-2)18(9-15)28-20(31)11-33-22-17-10-26-29(21(17)24-12-25-22)16-6-3-14(23)4-7-16/h3-10,12H,11H2,1-2H3,(H,27,30)(H,28,31)
InChIKey XMGNQWZTRIEHDH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9982
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: D62320; Labnumber: UDSG-06191; SBI_ID: SBI-009985
Temperature 308 °C