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S-(3-Methylbenzofuran-2-yl)methyl Thioacetate
SpectraBase Compound ID DpO86XvgIvd
InChI InChI=1S/C12H12O2S/c1-8-10-5-3-4-6-11(10)14-12(8)7-15-9(2)13/h3-6H,7H2,1-2H3
InChIKey NREFTOOWXMTPBC-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 511l5hKfsX3
Name S-(3-Methylbenzofuran-2-yl)methyl Thioacetate
Alternate Name(s) Ethanethioic acid S-[(3-methyl-2-benzofuranyl)methyl] ester S-[(3-methylbenzofuran-2-yl)methyl] ethanethioate S-[(3-methyl-1-benzofuran-2-yl)methyl] ethanethioate
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Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-8-10-5-3-4-6-11(10)14-12(8)7-15-9(2)13/h3-6H,7H2,1-2H3
InChIKey NREFTOOWXMTPBC-UHFFFAOYSA-N
Molecular Weight 220.286 g/mol
SMILES c1(c(c2ccccc2o1)C)CSC(=O)C
SPLASH splash10-0udi-0910000000-fcc1c2ab7344a1fc7c2f
Source of Spectrum U1-2010-3462-3ad
Wiley ID 1663941