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2-(.alpha.-Acetylthioacetyl)-1-(2-chloroethyl)pyrrole
SpectraBase Compound ID DWwqWMJcEIu
InChI InChI=1S/C10H12ClNO2S/c1-8(13)15-7-10(14)9-3-2-5-12(9)6-4-11/h2-3,5H,4,6-7H2,1H3
InChIKey WANKXULVEVTLLA-UHFFFAOYSA-N
Mol Weight 245.72 g/mol
Molecular Formula C10H12ClNO2S
Exact Mass 245.027728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImC6hXSq8m4
Name 2-(.alpha.-Acetylthioacetyl)-1-(2-chloroethyl)pyrrole
Alternate Name(s) ethanethioic acid S-[2-[1-(2-chloroethyl)-2-pyrrolyl]-2-oxoethyl]ester ethanethioic acid S-[2-[1-(2-chloroethyl)pyrrol-2-yl]-2-keto-ethyl]ester S-[2-[1-(2-chloroethyl)pyrrol-2-yl]-2-oxidanylidene-ethyl]ethanethioate S-[2-[1-(2-chloroethyl)pyrrol-2-yl]-2-oxo-ethyl]ethanethioate S-{2-[1-(2-chloroethyl)-1H-pyrrol-2-yl]-2-oxoethyl} ethanethioate ethanethioic acid S-[2-[1-(2-chloroethyl)-2-pyrrolyl]-2-oxoethyl] ester S-[2-[1-(2-chloroethyl)pyrrol-2-yl]-2-oxoethyl] ethanethioate S-[2-[1-(2-chloroethyl)pyrrol-2-yl]-2-oxo-ethyl] ethanethioate S-[2-[1-(2-chloroethyl)pyrrol-2-yl]-2-oxidanylidene-ethyl] ethanethioate
Comments Less than 3 mono-isotopic peaks
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Formula C10H12ClNO2S
InChI InChI=1S/C10H12ClNO2S/c1-8(13)15-7-10(14)9-3-2-5-12(9)6-4-11/h2-3,5H,4,6-7H2,1H3
InChIKey WANKXULVEVTLLA-UHFFFAOYSA-N
Molecular Weight 245.724 g/mol
SMILES c1([n](ccc1)CCCl)C(CSC(=O)C)=O
SPLASH splash10-0a4i-0900000000-f385bec523315882930c
Source of Spectrum C5-2003-2767-2
Wiley ID 1616214