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3-Oxo-1-phenylbutan-2-yl acetate
SpectraBase Compound ID LqcwK1udw1x
InChI InChI=1S/C12H14O3/c1-9(13)12(15-10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey VRVFIMYRXLTDDG-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkHAy0frwii
Name 3-Oxo-1-phenylbutan-2-yl acetate
Alternate Name(s) Acetic acid (3-oxo-1-phenylbutan-2-yl) ester (3-oxo-1-phenylbutan-2-yl) acetate (1-benzyl-2-oxo-propyl) acetate (3-oxidanylidene-1-phenyl-butan-2-yl) ethanoate
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Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-9(13)12(15-10(2)14)8-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3
InChIKey VRVFIMYRXLTDDG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo101995g
Molecular Weight 206.241 g/mol
SMILES C(c1ccccc1)C(C(=O)C)OC(=O)C
SPLASH splash10-054k-0930000000-6f814818ccc644468ef6
Source of Spectrum J-76-510-2aa
Wiley ID 1744664