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2-[[3-(4-chlorophenyl)-3-keto-propanethioyl]amino]acetic acid ethyl ester
SpectraBase Compound ID 3YoFvjH73QT
InChI InChI=1S/C13H14ClNO3S/c1-2-18-13(17)8-15-12(19)7-11(16)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,19)
InChIKey IAMUJBVVMUNXAW-UHFFFAOYSA-N
Mol Weight 299.77 g/mol
Molecular Formula C13H14ClNO3S
Exact Mass 299.038292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GynPKnvbeO
Name 2-[[3-(4-chlorophenyl)-3-keto-propanethioyl]amino]acetic acid ethyl ester
Alternate Name(s) 2-[[3-(4-chlorophenyl)-3-oxo-1-sulfanylidenepropyl]amino]acetic acid ethyl ester Ethyl 2-[[3-(4-chlorophenyl)-3-oxidanylidene-propanethioyl]amino]ethanoate Ethyl 2-[[3-(4-chlorophenyl)-3-oxo-propanethioyl]amino]acetate
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Formula C13H14ClNO3S
InChI InChI=1S/C13H14ClNO3S/c1-2-18-13(17)8-15-12(19)7-11(16)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,19)
InChIKey IAMUJBVVMUNXAW-UHFFFAOYSA-N
Molecular Weight 299.772 g/mol
SMILES N(CC(=O)OCC)C(CC(=O)c1ccc(cc1)Cl)=S
SPLASH splash10-01p9-0910000000-5a588e4c3da0f9d39904
Source of Spectrum F-62-1711-3
Wiley ID 1632280