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 Google Search
Mol Weight	340.45 g/mol
Molecular Formula	C18H20N4OS
Exact Mass	340.135782 g/mol

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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