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[ring-2H5,1,2-13C2]-3-Oxo-3-phenylpropionic acid ethyl ester
SpectraBase Compound ID IVxC5dNxuzz
InChI InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/i3D,4D,5D,6D,7D,8+1,11+1
InChIKey GKKZMYDNDDMXSE-TVKCGURASA-N
Mol Weight 199.23 g/mol
Molecular Formula C913C2H72D5O3
Exact Mass 199.116738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60ahesRhHNH
Name [ring-2H5,1,2-13C2]-3-Oxo-3-phenylpropionic acid ethyl ester
Comments Original formula: C9[13C]2H7D5O3
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Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/i3D,4D,5D,6D,7D,8+1,11+1
InChIKey GKKZMYDNDDMXSE-TVKCGURASA-N
Molecular Weight 199.229 g/mol
SMILES [13CH2]([13C](=O)OCC)C(=O)c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D]
SPLASH splash10-0ika-6920000000-eeb89d8a365640910ce4
Source of Spectrum F-56-9119-10
Wiley ID 859220