({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

SpectraBase Compound ID	JZmxWz4VhcF
InChI	InChI=1S/C13H14N4O3S/c1-8(18)14-10-5-3-4-9(6-10)12-15-16-13(17(12)2)21-7-11(19)20/h3-6H,7H2,1-2H3,(H,14,18)(H,19,20)
InChIKey	UYDWBBSPDNBHSS-UHFFFAOYSA-N Google Search
Mol Weight	306.34 g/mol
Molecular Formula	C13H14N4O3S
Exact Mass	306.078661 g/mol

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SpectraBase Spectrum ID	9ih36P7LMGl
Name	({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic 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/C13H14N4O3S/c1-8(18)14-10-5-3-4-9(6-10)12-15-16-13(17(12)2)21-7-11(19)20/h3-6H,7H2,1-2H3,(H,14,18)(H,19,20)
InChIKey	UYDWBBSPDNBHSS-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_7260
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: D28930; Labnumber: SPKOL-4510; SBI_ID: SBI-007263
Temperature	306 °C