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3-Benzamido-3-keto-propanethioic acid S-methyl ester
SpectraBase Compound ID 5Q5hnJVGcgr
InChI InChI=1S/C11H11NO3S/c1-16-10(14)7-9(13)12-11(15)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,15)
InChIKey KXQJKGXGNXBZMB-UHFFFAOYSA-N
Mol Weight 237.27 g/mol
Molecular Formula C11H11NO3S
Exact Mass 237.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IusCcGqvyhh
Name 3-Benzamido-3-keto-propanethioic acid S-methyl ester
Alternate Name(s) 3-Benzamido-3-oxopropanethioic acid S-methyl ester S-methyl 3-benzamido-3-oxidanylidene-propanethioate S-methyl 3-benzamido-3-oxo-propanethioate
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Formula C11H11NO3S
InChI InChI=1S/C11H11NO3S/c1-16-10(14)7-9(13)12-11(15)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,15)
InChIKey KXQJKGXGNXBZMB-UHFFFAOYSA-N
Molecular Weight 237.273 g/mol
SMILES N(C(=O)c1ccccc1)C(CC(=O)SC)=O
SPLASH splash10-0a6r-9700000000-dbb41f96b96cbf0785b1
Wiley ID 1510735