4-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic acid

SpectraBase Compound ID	LgGrtzkuLr4
InChI	InChI=1S/C16H12N4O4S/c1-19-14(10-5-3-2-4-6-10)17-18-16(19)25-13-8-7-11(15(21)22)9-12(13)20(23)24/h2-9H,1H3,(H,21,22)
InChIKey	AISKWKVMKYLMGA-UHFFFAOYSA-N Google Search
Mol Weight	356.36 g/mol
Molecular Formula	C16H12N4O4S
Exact Mass	356.057926 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	K2D2hMbYRs3
Name	4-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoic 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/C16H12N4O4S/c1-19-14(10-5-3-2-4-6-10)17-18-16(19)25-13-8-7-11(15(21)22)9-12(13)20(23)24/h2-9H,1H3,(H,21,22)
InChIKey	AISKWKVMKYLMGA-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7529_1843
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/9263615; Labnumber: LP-2190900
Temperature	303 °C