3,5-dinitro-4-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}benzoic acid

SpectraBase Compound ID	3J3NXyKzfet
InChI	InChI=1S/C18H14N4O10S/c1-29-12-6-8(7-13(30-2)14(12)31-3)16-19-20-18(32-16)33-15-10(21(25)26)4-9(17(23)24)5-11(15)22(27)28/h4-7H,1-3H3,(H,23,24)
InChIKey	PBJUAYAGZATGDQ-UHFFFAOYSA-N Google Search
Mol Weight	478.39 g/mol
Molecular Formula	C18H14N4O10S
Exact Mass	478.043064 g/mol

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SpectraBase Spectrum ID	8hL1cVaRyje
Name	3,5-dinitro-4-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}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/C18H14N4O10S/c1-29-12-6-8(7-13(30-2)14(12)31-3)16-19-20-18(32-16)33-15-10(21(25)26)4-9(17(23)24)5-11(15)22(27)28/h4-7H,1-3H3,(H,23,24)
InChIKey	PBJUAYAGZATGDQ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5107
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/11211497; Labnumber: LP-0503420; IOH_ID: IOH-005108