3-(4-tert-butyl-phenoxymethyl)-6-(3-nitro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

SpectraBase Compound ID	9t7Xb45pIsh
InChI	InChI=1S/C21H21N5O3S/c1-21(2,3)15-7-9-17(10-8-15)29-12-19-22-23-20-25(19)24-18(13-30-20)14-5-4-6-16(11-14)26(27)28/h4-11H,12-13H2,1-3H3
InChIKey	PISKMFHQKAUFSR-UHFFFAOYSA-N Google Search
Mol Weight	423.49 g/mol
Molecular Formula	C21H21N5O3S
Exact Mass	423.136511 g/mol

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SpectraBase Spectrum ID	9x3rZ2ajoTl
Name	3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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/C21H21N5O3S/c1-21(2,3)15-7-9-17(10-8-15)29-12-19-22-23-20-25(19)24-18(13-30-20)14-5-4-6-16(11-14)26(27)28/h4-11H,12-13H2,1-3H3
InChIKey	PISKMFHQKAUFSR-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5590
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: NMR/11221906; Labnumber: 0875; IOH_ID: IOH-005591
Synonyms	4-tert-butylphenyl [6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl ether