2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone

SpectraBase Compound ID	HH2YmJiptxM
InChI	InChI=1S/C20H19N3O3S/c1-3-10-23-19(14-6-4-13(2)5-7-14)21-22-20(23)27-12-18(26)15-8-9-16(24)17(25)11-15/h3-9,11,24-25H,1,10,12H2,2H3
InChIKey	XQMYTQQHXORADL-UHFFFAOYSA-N Google Search
Mol Weight	381.45 g/mol
Molecular Formula	C20H19N3O3S
Exact Mass	381.114713 g/mol

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SpectraBase Spectrum ID	B49uw6kXxcV
Name	2-{[4-allyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone
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/C20H19N3O3S/c1-3-10-23-19(14-6-4-13(2)5-7-14)21-22-20(23)27-12-18(26)15-8-9-16(24)17(25)11-15/h3-9,11,24-25H,1,10,12H2,2H3
InChIKey	XQMYTQQHXORADL-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4956
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: E08420; Labnumber: GRES-37040; SBI_ID: SBI-004958
Temperature	308 °C