N-[3,5-bis(trifluoromethyl)phenyl]-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide

SpectraBase Compound ID	FloJzTbe5X1
InChI	InChI=1S/C21H13F6N5OS/c22-20(23,24)12-6-13(21(25,26)27)8-14(7-12)31-17(33)10-34-19-16-9-30-32(18(16)28-11-29-19)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,31,33)
InChIKey	RAIJIXXIAVUDGH-UHFFFAOYSA-N Google Search
Mol Weight	497.42 g/mol
Molecular Formula	C21H13F6N5OS
Exact Mass	497.0745 g/mol

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SpectraBase Spectrum ID	Ez879R2yKp5
Name	N-[3,5-bis(trifluoromethyl)phenyl]-2-[(1-phenyl-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/C21H13F6N5OS/c22-20(23,24)12-6-13(21(25,26)27)8-14(7-12)31-17(33)10-34-19-16-9-30-32(18(16)28-11-29-19)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,31,33)
InChIKey	RAIJIXXIAVUDGH-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9865
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: D62108; Labnumber: UDSG-05744; SBI_ID: SBI-009868
Temperature	315 °C