3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)-6-methylisoxazolo[5,4-b]pyridine-4-carboxamide

SpectraBase Compound ID	CutuZ6JVzjF
InChI	InChI=1S/C22H16N4O4S/c1-10-6-14(20(27)25-22-15(8-23)11(2)12(3)31-22)18-19(26-30-21(18)24-10)13-4-5-16-17(7-13)29-9-28-16/h4-7H,9H2,1-3H3,(H,25,27)
InChIKey	BRANFACJTICVLI-UHFFFAOYSA-N Google Search
Mol Weight	432.45 g/mol
Molecular Formula	C22H16N4O4S
Exact Mass	432.089226 g/mol

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SpectraBase Spectrum ID	FYfUAr6XZQl
Name	3-(1,3-benzodioxol-5-yl)-N-(3-cyano-4,5-dimethyl-2-thienyl)-6-methylisoxazolo[5,4-b]pyridine-4-carboxamide
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/C22H16N4O4S/c1-10-6-14(20(27)25-22-15(8-23)11(2)12(3)31-22)18-19(26-30-21(18)24-10)13-4-5-16-17(7-13)29-9-28-16/h4-7H,9H2,1-3H3,(H,25,27)
InChIKey	BRANFACJTICVLI-UHFFFAOYSA-N
NMR Offset	17.912
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_33706
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: 1996397; SBI_ID: SBI-033710
Temperature	303 °C