2-propanone, 1,3-bis[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-

SpectraBase Compound ID	Hsz8zAJER7P
InChI	InChI=1S/C21H20N6O3S2/c1-29-16-7-3-13(4-8-16)18-22-20(26-24-18)31-11-15(28)12-32-21-23-19(25-27-21)14-5-9-17(30-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,22,24,26)(H,23,25,27)
InChIKey	DMAPTKFIGUIOEP-UHFFFAOYSA-N Google Search
Mol Weight	468.55 g/mol
Molecular Formula	C21H20N6O3S2
Exact Mass	468.103831 g/mol

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SpectraBase Spectrum ID	3zBfWwz5hqr
Name	2-propanone, 1,3-bis[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-
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/C21H20N6O3S2/c1-29-16-7-3-13(4-8-16)18-22-20(26-24-18)31-11-15(28)12-32-21-23-19(25-27-21)14-5-9-17(30-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,22,24,26)(H,23,25,27)
InChIKey	DMAPTKFIGUIOEP-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_CB_8313_1757
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/9223075; Labnumber: LP-2005315
Temperature	297 °C