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(Z)-1-(2,4-dimethylphenyl)-3-(methylthio)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate
SpectraBase Compound ID I8rGSNn0s4C
InChI InChI=1S/C17H17NOS2/c1-12-7-8-14(13(2)11-12)16(19)15(17(20)21-3)18-9-5-4-6-10-18/h4-11H,1-3H3
InChIKey NAFNNJDNOMBKON-UHFFFAOYSA-N
Mol Weight 315.45 g/mol
Molecular Formula C17H17NOS2
Exact Mass 315.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcBbZpSuW3r
Name (Z)-1-(2,4-dimethylphenyl)-3-(methylthio)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate
CAS Registry Number 112777-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NOS2
InChI InChI=1S/C17H17NOS2/c1-12-7-8-14(13(2)11-12)16(19)15(17(20)21-3)18-9-5-4-6-10-18/h4-11H,1-3H3
InChIKey NAFNNJDNOMBKON-UHFFFAOYSA-N
Molecular Weight 315.449 g/mol
SMILES C(C(c1c(cc(cc1)C)C)=O)(=n1ccccc1)C(=S)SC
SPLASH splash10-014i-3954000000-dd77ec2c1c307f6dd9fd
Source of Spectrum Y-24-924-11
Synonyms (Z)-1-(2,4-dimethylphenyl)-3-(methylthio)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate (Z)-1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate (Z)-1-(2,4-dimethylphenyl)-3-methylsulfanyl-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate
Wiley ID 1315945