5-Chloranyl-2-[(5,6-dinitro-1H-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

SpectraBase Compound ID	MUB3hmrXk0
InChI	InChI=1S/C16H11ClN6O4S/c1-7-9(5-18)16(19-8(2)15(7)17)28-6-14-20-10-3-12(22(24)25)13(23(26)27)4-11(10)21-14/h3-4H,6H2,1-2H3,(H,20,21)
InChIKey	HPUNHTPUTADZRO-UHFFFAOYSA-N Google Search
Mol Weight	418.82 g/mol
Molecular Formula	C16H11ClN6O4S
Exact Mass	418.025102 g/mol

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SpectraBase Spectrum ID	LhwoV8zbCKj
Name	3-pyridinecarbonitrile, 5-chloro-2-[[(5,6-dinitro-1H-benzimidazol-2-yl)methyl]thio]-4,6-dimethyl-
Copyright	Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	418.025101728 u
Formula	C16H11ClN6O4S
InChI	InChI=1S/C16H11ClN6O4S/c1-7-9(5-18)16(19-8(2)15(7)17)28-6-14-20-10-3-12(22(24)25)13(23(26)27)4-11(10)21-14/h3-4H,6H2,1-2H3,(H,20,21)
InChIKey	HPUNHTPUTADZRO-UHFFFAOYSA-N
Molecular Weight	418.815 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14887
Solvent	DMSO-d6
Source	Vendor ID: NMR/11210524; Lab Info: KE; Lab Number: KE-0103036