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

SpectraBase Compound ID	7G0LymdrepU
InChI	InChI=1S/C17H14N4O4S/c1-20-15(9-11-5-3-2-4-6-11)18-19-17(20)26-14-8-7-12(16(22)23)10-13(14)21(24)25/h2-8,10H,9H2,1H3,(H,22,23)
InChIKey	CMLPATXOTMEUPX-UHFFFAOYSA-N Google Search
Mol Weight	370.38 g/mol
Molecular Formula	C17H14N4O4S
Exact Mass	370.073576 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	JzjXrZUdA5B
Name	4-[(5-benzyl-4-methyl-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/C17H14N4O4S/c1-20-15(9-11-5-3-2-4-6-11)18-19-17(20)26-14-8-7-12(16(22)23)10-13(14)21(24)25/h2-8,10H,9H2,1H3,(H,22,23)
InChIKey	CMLPATXOTMEUPX-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_2092
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/9290158; Labnumber: LP-2191147
Temperature	297 °C