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N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID aPAG8G6AXl
InChI InChI=1S/C21H17Cl2N5O2S/c1-12-7-17(18(30-2)8-16(12)23)27-19(29)10-31-21-15-9-26-28(20(15)24-11-25-21)14-5-3-13(22)4-6-14/h3-9,11H,10H2,1-2H3,(H,27,29)
InChIKey XDFWMMYYWDPPJJ-UHFFFAOYSA-N
Mol Weight 474.37 g/mol
Molecular Formula C21H17Cl2N5O2S
Exact Mass 473.048001 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CTWMOURit1I
Name N-(4-chloro-2-methoxy-5-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/C21H17Cl2N5O2S/c1-12-7-17(18(30-2)8-16(12)23)27-19(29)10-31-21-15-9-26-28(20(15)24-11-25-21)14-5-3-13(22)4-6-14/h3-9,11H,10H2,1-2H3,(H,27,29)
InChIKey XDFWMMYYWDPPJJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10006
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: D62375; Labnumber: UDSG-06273; SBI_ID: SBI-010009
Temperature 308 °C