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2-keto-2-(p-tolylthio)acetic acid ethyl ester
SpectraBase Compound ID DgtIce8sN01
InChI InChI=1S/C11H12O3S/c1-3-14-10(12)11(13)15-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey HOZMKJGKBGRUEV-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjsmI6X72lC
Name 2-keto-2-(p-tolylthio)acetic acid ethyl ester
Alternate Name(s) 2-[(4-methylphenyl)thio]-2-oxoacetic acid ethyl ester Ethyl 2-(4-methylphenyl)sulfanyl-2-oxidanylidene-ethanoate Ethyl 2-(4-methylphenyl)sulfanyl-2-oxoacetate Ethyl 2-oxo-2-(p-tolylsulfanyl)acetate
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Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-3-14-10(12)11(13)15-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey HOZMKJGKBGRUEV-UHFFFAOYSA-N
Molecular Weight 224.274 g/mol
SMILES C(C(=O)OCC)(Sc1ccc(cc1)C)=O
SPLASH splash10-00di-7920000000-b85bbb6ee87ad0842c0b
Source of Spectrum KC-0-601-24
Wiley ID 827552