3,5-dinitro-4-[(4,5,6-trimethyl-2-pyrimidinyl)sulfanyl]benzoic acid

SpectraBase Compound ID	FeHTkkEuA0n
InChI	InChI=1S/C14H12N4O6S/c1-6-7(2)15-14(16-8(6)3)25-12-10(17(21)22)4-9(13(19)20)5-11(12)18(23)24/h4-5H,1-3H3,(H,19,20)
InChIKey	MYSUHQMVBRJZAQ-UHFFFAOYSA-N Google Search
Mol Weight	364.33 g/mol
Molecular Formula	C14H12N4O6S
Exact Mass	364.047755 g/mol

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SpectraBase Spectrum ID	9YRdSL727tF
Name	3,5-dinitro-4-[(4,5,6-trimethyl-2-pyrimidinyl)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/C14H12N4O6S/c1-6-7(2)15-14(16-8(6)3)25-12-10(17(21)22)4-9(13(19)20)5-11(12)18(23)24/h4-5H,1-3H3,(H,19,20)
InChIKey	MYSUHQMVBRJZAQ-UHFFFAOYSA-N
NMR Offset	14.7616
NMR Spectrometer Frequency	200.133
Observed nucleus	1H
Origin	1H_ASIOH_7000_3063
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: ZI/7014322; Labnumber: LP-0500258; IOH_ID: IOH-003064
Temperature	303 °C