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(Z)-3-(methylthio)-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate
SpectraBase Compound ID HxHRDgvA1lW
InChI InChI=1S/C15H12N2O3S2/c1-22-15(21)13(16-9-3-2-4-10-16)14(18)11-5-7-12(8-6-11)17(19)20/h2-10H,1H3
InChIKey VHBGPILPDJQRKJ-UHFFFAOYSA-N
Mol Weight 332.39 g/mol
Molecular Formula C15H12N2O3S2
Exact Mass 332.028935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SRd9TIUJlE
Name (Z)-3-(methylthio)-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate
CAS Registry Number 112777-19-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N2O3S2
InChI InChI=1S/C15H12N2O3S2/c1-22-15(21)13(16-9-3-2-4-10-16)14(18)11-5-7-12(8-6-11)17(19)20/h2-10H,1H3
InChIKey VHBGPILPDJQRKJ-UHFFFAOYSA-N
Molecular Weight 332.392 g/mol
SMILES C(=n1ccccc1)(C(c1ccc(N(=O)=O)cc1)=O)C(=S)SC
SPLASH splash10-0udi-9210000000-466aa0f96cf1b4a94812
Source of Spectrum Y-24-924-11
Synonyms (Z)-3-(methylthio)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate (Z)-3-methylsulfanyl-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate (Z)-3-methylsulfanyl-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate
Wiley ID 1329093