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Benzene, 1-(1-carboxyethyl)-4-(1-formylethyl)-

View entire compound with spectra: 2 MS (GC)

Benzene, 1-(1-carboxyethyl)-4-(1-formylethyl)-
SpectraBase Compound ID IHgvGUpadXN
InChI InChI=1S/C12H14O3/c1-8(7-13)10-3-5-11(6-4-10)9(2)12(14)15/h3-9H,1-2H3,(H,14,15)
InChIKey HARBCTJNDTYPKJ-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 Ks4DCAdC5zv
Name Benzene, 1-(1-carboxyethyl)-4-(1-formylethyl)-
Alternate Name(s) 2-[4-(1-methyl-2-oxo-ethyl)phenyl]propanoic acid 2-[4-(1-oxidanylidenepropan-2-yl)phenyl]propanoic acid 2-[4-(1-oxopropan-2-yl)phenyl]propanoic acid 2-[4-(2-keto-1-methyl-ethyl)phenyl]propionic acid
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Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-8(7-13)10-3-5-11(6-4-10)9(2)12(14)15/h3-9H,1-2H3,(H,14,15)
InChIKey HARBCTJNDTYPKJ-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES OC(C(c1ccc(cc1)C(C)C=O)C)=O
SPLASH splash10-004i-4900000000-47f9e1d9370da6817a66
Wiley ID 1493691