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N-[3,5-bis(trifluoromethyl)phenyl]-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID 3nAhJgoSthA
InChI InChI=1S/C22H15F6N5OS/c1-12-2-4-16(5-3-12)33-19-17(9-31-33)20(30-11-29-19)35-10-18(34)32-15-7-13(21(23,24)25)6-14(8-15)22(26,27)28/h2-9,11H,10H2,1H3,(H,32,34)
InChIKey UGMWTGSMWZVZKM-UHFFFAOYSA-N
Mol Weight 511.45 g/mol
Molecular Formula C22H15F6N5OS
Exact Mass 511.09015 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8GhKDb838zX
Name N-[3,5-bis(trifluoromethyl)phenyl]-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/C22H15F6N5OS/c1-12-2-4-16(5-3-12)33-19-17(9-31-33)20(30-11-29-19)35-10-18(34)32-15-7-13(21(23,24)25)6-14(8-15)22(26,27)28/h2-9,11H,10H2,1H3,(H,32,34)
InChIKey UGMWTGSMWZVZKM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9942
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: D62229; Labnumber: UDSG-05908; SBI_ID: SBI-009945
Temperature 315 °C