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1-(4-Formylphenyl)-2-oxopropyl acetate
SpectraBase Compound ID 5AGD3DheNkx
InChI InChI=1S/C12H12O4/c1-8(14)12(16-9(2)15)11-5-3-10(7-13)4-6-11/h3-7,12H,1-2H3
InChIKey LNZIROZBOCCWSC-UHFFFAOYSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeDk1rGPdyZ
Name 1-(4-Formylphenyl)-2-oxopropyl acetate
Alternate Name(s) Acetic acid [1-(4-formylphenyl)-2-oxopropyl] ester [1-(4-formylphenyl)-2-oxopropyl] acetate [1-(4-formylphenyl)-2-oxo-propyl] acetate [1-(4-methanoylphenyl)-2-oxidanylidene-propyl] ethanoate
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Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-8(14)12(16-9(2)15)11-5-3-10(7-13)4-6-11/h3-7,12H,1-2H3
InChIKey LNZIROZBOCCWSC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo101995g
Molecular Weight 220.224 g/mol
SMILES c1cc(ccc1C=O)C(C(C)=O)OC(=O)C
SPLASH splash10-03di-0900000000-4bc6fab6772a997e572c
Source of Spectrum J-76-508-2f
Wiley ID 1744675