4-[3-sulfanyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]benzoic acid

SpectraBase Compound ID	7GgikJf95Po
InChI	InChI=1S/C18H17N3O5S/c1-24-13-8-11(9-14(25-2)15(13)26-3)16-19-20-18(27)21(16)12-6-4-10(5-7-12)17(22)23/h4-9H,1-3H3,(H,20,27)(H,22,23)
InChIKey	BDIZPKSQWYVRKR-UHFFFAOYSA-N Google Search
Mol Weight	387.41 g/mol
Molecular Formula	C18H17N3O5S
Exact Mass	387.088892 g/mol

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SpectraBase Spectrum ID	Jk28VcGq416
Name	4-[3-sulfanyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]benzoic acid
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/C18H17N3O5S/c1-24-13-8-11(9-14(25-2)15(13)26-3)16-19-20-18(27)21(16)12-6-4-10(5-7-12)17(22)23/h4-9H,1-3H3,(H,20,27)(H,22,23)
InChIKey	BDIZPKSQWYVRKR-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2565
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: D03679; Labnumber: NCOBK-0441; SBI_ID: SBI-002567
Temperature	308 °C