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S-(5-Chloro-3-methylbenzofuran-2-yl)methyl Thioacetate
SpectraBase Compound ID 4OaSxUrh2cn
InChI InChI=1S/C12H11ClO2S/c1-7-10-5-9(13)3-4-11(10)15-12(7)6-16-8(2)14/h3-5H,6H2,1-2H3
InChIKey YRGNPKRXCHIZMA-UHFFFAOYSA-N
Mol Weight 254.73 g/mol
Molecular Formula C12H11ClO2S
Exact Mass 254.016828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7j1ifWL4unM
Name S-(5-Chloro-3-methylbenzofuran-2-yl)methyl Thioacetate
Alternate Name(s) Ethanethioic acid S-[(5-chloro-3-methyl-2-benzofuranyl)methyl] ester S-[(5-chloro-3-methyl-1-benzofuran-2-yl)methyl] ethanethioate S-[(5-chloro-3-methyl-benzofuran-2-yl)methyl] ethanethioate S-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)methyl] ethanethioate
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Formula C12H11ClO2S
InChI InChI=1S/C12H11ClO2S/c1-7-10-5-9(13)3-4-11(10)15-12(7)6-16-8(2)14/h3-5H,6H2,1-2H3
InChIKey YRGNPKRXCHIZMA-UHFFFAOYSA-N
Molecular Weight 254.731 g/mol
SMILES c1(c(c2cc(Cl)ccc2o1)C)CSC(=O)C
SPLASH splash10-004i-0910000000-ee0ea496d5101ad7ee2c
Source of Spectrum U1-2010-3463-3cd
Wiley ID 1663936