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Methyl 2-{[3-(4-chlorophenyl)-3-oxopropanthioyl]amino}acetate
SpectraBase Compound ID CAEFyx0j5AF
InChI InChI=1S/C12H12ClNO3S/c1-17-12(16)7-14-11(18)6-10(15)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,18)
InChIKey VPOIASRMRXOYEH-UHFFFAOYSA-N
Mol Weight 285.74 g/mol
Molecular Formula C12H12ClNO3S
Exact Mass 285.022642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFURtg3Fc6E
Name Methyl 2-{[3-(4-chlorophenyl)-3-oxopropanthioyl]amino}acetate
Alternate Name(s) Methyl {[3-(4-chlorophenyl)-3-oxopropanethioyl]amino}acetate
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Formula C12H12ClNO3S
InChI InChI=1S/C12H12ClNO3S/c1-17-12(16)7-14-11(18)6-10(15)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,18)
InChIKey VPOIASRMRXOYEH-UHFFFAOYSA-N
Molecular Weight 285.745 g/mol
SMILES N(CC(=O)OC)C(CC(=O)c1ccc(cc1)Cl)=S
SPLASH splash10-01p9-0920000000-49674396622d020ffeda
Source of Spectrum F-62-1712-3
Wiley ID 1632274