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3-Thioxopropanoic acid, 2-benzyl-3-methoxy-, methyl ester
SpectraBase Compound ID 5dsZ4fXCRrM
InChI InChI=1S/C12H14O3S/c1-14-11(13)10(12(16)15-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey IZCGOOKHBNMAOF-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fgc0zxvNn4o
Name 3-Thioxopropanoic acid, 2-benzyl-3-methoxy-, methyl ester
Alternate Name(s) 2-Benzyl-3-methoxy-3-thioxo-propionic acid methyl ester 3-Methoxy-2-(phenylmethyl)-3-sulfanylidenepropanoic acid methyl ester Methyl 2-benzyl-3-methoxy-3-sulfanylidenepropanoate Methyl 2-benzyl-3-methoxy-3-thioxo-propanoate Methyl 3-methoxy-2-(phenylmethyl)-3-sulfanylidene-propanoate
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Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-14-11(13)10(12(16)15-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey IZCGOOKHBNMAOF-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES c1ccc(cc1)CC(C(=S)OC)C(=O)OC
SPLASH splash10-01ox-7900000000-b1bfaadb73912994ca16
Wiley ID 1477587