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(2RS,3R)-3-Acetoxy-2-methyl-1-phenylbutan-1-one
SpectraBase Compound ID 4CVnko20ItB
InChI InChI=1S/C13H16O3/c1-9(10(2)16-11(3)14)13(15)12-7-5-4-6-8-12/h4-10H,1-3H3/t9?,10-/m1/s1
InChIKey NNNJBQXTJKZRQK-QVDQXJPCSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PEHex1dOg8
Name (2RS,3R)-3-Acetoxy-2-methyl-1-phenylbutan-1-one
Alternate Name(s) (1R)-1,2-dimethyl-3-oxo-3-phenylpropyl acetate (2R,3R)-3-Acetoxy-2-methyl-1-phenylbutan-1-one (2S,3R)-3-Acetoxy-2-methyl-1-phenylbutan-1-one
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Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-9(10(2)16-11(3)14)13(15)12-7-5-4-6-8-12/h4-10H,1-3H3/t9?,10-/m1/s1
InChIKey NNNJBQXTJKZRQK-QVDQXJPCSA-N
Molecular Weight 220.268 g/mol
SMILES C(C([C@](OC(=O)C)(C)[H])C)(=O)c1ccccc1
SPLASH splash10-0a4i-1900000000-689f5818aaed94022a30
Source of Spectrum F-70-1288-4
Wiley ID 1596196