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3,3-dimethyl-1-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-2-butanone
SpectraBase Compound ID JXw8Zd92Qkz
InChI InChI=1S/C18H20N4OS/c1-12-5-7-13(8-6-12)22-16-14(9-21-22)17(20-11-19-16)24-10-15(23)18(2,3)4/h5-9,11H,10H2,1-4H3
InChIKey MMWHMKRWNMYQMV-UHFFFAOYSA-N
Mol Weight 340.45 g/mol
Molecular Formula C18H20N4OS
Exact Mass 340.135782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HJNJUB1HtM8
Name 3,3-dimethyl-1-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-2-butanone
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/C18H20N4OS/c1-12-5-7-13(8-6-12)22-16-14(9-21-22)17(20-11-19-16)24-10-15(23)18(2,3)4/h5-9,11H,10H2,1-4H3
InChIKey MMWHMKRWNMYQMV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9900
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: D62161; Labnumber: UDSG-05819; SBI_ID: SBI-009903
Temperature 315 °C