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thiophene-2-carbothioic acid S-(2-acetamidoethyl) ester
SpectraBase Compound ID Gj5QBT1espL
InChI InChI=1S/C9H11NO2S2/c1-7(11)10-4-6-14-9(12)8-3-2-5-13-8/h2-3,5H,4,6H2,1H3,(H,10,11)
InChIKey ZEGLPHWDTITJPB-UHFFFAOYSA-N
Mol Weight 229.31 g/mol
Molecular Formula C9H11NO2S2
Exact Mass 229.023121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTvI92QOLBr
Name 2-thiophenecarbothioic acid S-(2-acetamidoethyl) ester
Comments Less than 3 mono-isotopic peaks
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Formula C9H11NO2S2
InChI InChI=1S/C9H11NO2S2/c1-7(11)10-4-6-14-9(12)8-3-2-5-13-8/h2-3,5H,4,6H2,1H3,(H,10,11)
InChIKey ZEGLPHWDTITJPB-UHFFFAOYSA-N
Molecular Weight 229.312 g/mol
SMILES N(C(=O)C)CCSC(c1sccc1)=O
SPLASH splash10-03di-0910000000-53e297ea3794d8b6eeba
Source of Spectrum K1-2000-1880-0
Synonyms S-(2-acetamidoethyl) thiophene-2-carbothioate thiophene-2-carbothioic acid S-(2-acetamidoethyl) ester
Wiley ID 750249