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1-Methyl-3-methylsulfinyl-1,4-dihydro-4-thiooxoquinoline
SpectraBase Compound ID AHjAXKeIcDF
InChI InChI=1S/C11H11NOS2/c1-12-7-10(15(2)13)11(14)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChIKey MADCWBOJGTYSDW-UHFFFAOYSA-N
Mol Weight 237.33 g/mol
Molecular Formula C11H11NOS2
Exact Mass 237.028206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nIV7STycFh
Name 1-Methyl-3-methylsulfinyl-1,4-dihydro-4-thiooxoquinoline
Alternate Name(s) 1-methyl-3-(methylsulfinyl)-4(1H)-quinolinethione
Comments Less than 3 mono-isotopic peaks
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Formula C11H11NOS2
InChI InChI=1S/C11H11NOS2/c1-12-7-10(15(2)13)11(14)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChIKey MADCWBOJGTYSDW-UHFFFAOYSA-N
Molecular Weight 237.335 g/mol
SMILES C=1(C(c2ccccc2N(C1)C)=S)S(=O)C
SPLASH splash10-00di-0090000000-e3212d216bea8d4c01b9
Source of Spectrum O1-63-2336-6
Wiley ID 1592834