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7-Bromo-3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester
SpectraBase Compound ID 8LV5gKeQD7r
InChI InChI=1S/C12H13BrO3S2/c1-3-16-11(15)10-8-6(13)4-5-7(14)9(8)12(17-2)18-10/h6H,3-5H2,1-2H3
InChIKey SFYAFMQVSSNALV-UHFFFAOYSA-N
Mol Weight 349.26 g/mol
Molecular Formula C12H13BrO3S2
Exact Mass 347.94895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YpLsTOqeMo
Name 7-Bromo-3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester
Alternate Name(s) 7-Bromo-4-keto-3-(methylthio)-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Ethyl 7-bromanyl-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Ethyl 7-bromo-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
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Formula C12H13BrO3S2
InChI InChI=1S/C12H13BrO3S2/c1-3-16-11(15)10-8-6(13)4-5-7(14)9(8)12(17-2)18-10/h6H,3-5H2,1-2H3
InChIKey SFYAFMQVSSNALV-UHFFFAOYSA-N
Molecular Weight 349.257 g/mol
SMILES c1(c2c(c(s1)SC)C(CCC2Br)=O)C(=O)OCC
SPLASH splash10-0gbd-0196000000-1dafb1b1fdb122eafca4
Source of Spectrum MZ-34-1461-3
Wiley ID 1582201