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N-(3-chloro-4-methoxyphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID BptXL0kJSQs
InChI InChI=1S/C21H18ClN5O2S/c1-13-3-6-15(7-4-13)27-20-16(10-25-27)21(24-12-23-20)30-11-19(28)26-14-5-8-18(29-2)17(22)9-14/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey WHQLOMQKHIMPRL-UHFFFAOYSA-N
Mol Weight 439.92 g/mol
Molecular Formula C21H18ClN5O2S
Exact Mass 439.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1CyY41zeFwn
Name N-(3-chloro-4-methoxyphenyl)-2-{[1-(4-methylphenyl)-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/C21H18ClN5O2S/c1-13-3-6-15(7-4-13)27-20-16(10-25-27)21(24-12-23-20)30-11-19(28)26-14-5-8-18(29-2)17(22)9-14/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey WHQLOMQKHIMPRL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9928
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: D62204; Labnumber: UDSG-05875; SBI_ID: SBI-009931
Temperature 315 °C