benzoic acid, 4-[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,5-dinitro-

SpectraBase Compound ID	3PCAaoV85Ss
InChI	InChI=1S/C22H15N5O7S/c1-34-16-9-7-13(8-10-16)20-23-24-22(25(20)15-5-3-2-4-6-15)35-19-17(26(30)31)11-14(21(28)29)12-18(19)27(32)33/h2-12H,1H3,(H,28,29)
InChIKey	VTYJOPUDHPZHNM-UHFFFAOYSA-N Google Search
Mol Weight	493.45 g/mol
Molecular Formula	C22H15N5O7S
Exact Mass	493.069219 g/mol

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SpectraBase Spectrum ID	1uQXnVzloqe
Name	benzoic acid, 4-[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,5-dinitro-
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/C22H15N5O7S/c1-34-16-9-7-13(8-10-16)20-23-24-22(25(20)15-5-3-2-4-6-15)35-19-17(26(30)31)11-14(21(28)29)12-18(19)27(32)33/h2-12H,1H3,(H,28,29)
InChIKey	VTYJOPUDHPZHNM-UHFFFAOYSA-N
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_CB_8313_1762
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/9223096; Labnumber: LP-0502144
Temperature	297 °C