ethanone, 1-[4-[3-mercapto-5-(4-propoxyphenyl)-4H-1,2,4-triazol-4-yl]phenyl]-

SpectraBase Compound ID	K05qWnRkJ4X
InChI	InChI=1S/C19H19N3O2S/c1-3-12-24-17-10-6-15(7-11-17)18-20-21-19(25)22(18)16-8-4-14(5-9-16)13(2)23/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKey	WRMITKVQOFOYTE-UHFFFAOYSA-N Google Search
Mol Weight	353.44 g/mol
Molecular Formula	C19H19N3O2S
Exact Mass	353.119798 g/mol

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SpectraBase Spectrum ID	LbnnMZtibpA
Name	ethanone, 1-[4-[3-mercapto-5-(4-propoxyphenyl)-4H-1,2,4-triazol-4-yl]phenyl]-
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/C19H19N3O2S/c1-3-12-24-17-10-6-15(7-11-17)18-20-21-19(25)22(18)16-8-4-14(5-9-16)13(2)23/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKey	WRMITKVQOFOYTE-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2585
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/11241496; Labnumber: OBK-0004837