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(3R)-5-keto-3-phenyl-hexanoic acid methyl ester
SpectraBase Compound ID LuZtUeCQ1fQ
InChI InChI=1S/C13H16O3/c1-10(14)8-12(9-13(15)16-2)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKey GLXFIFCVMRMRNN-GFCCVEGCSA-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 JTWV6MvgkAF
Name (3R)-5-keto-3-phenyl-hexanoic acid methyl ester
Alternate Name(s) (3R)-5-oxo-3-phenylhexanoic acid methyl ester Methyl (3R)-5-oxidanylidene-3-phenyl-hexanoate Methyl (3R)-5-oxo-3-phenyl-hexanoate
CAS Registry Number 89393-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-10(14)8-12(9-13(15)16-2)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKey GLXFIFCVMRMRNN-GFCCVEGCSA-N
Molecular Weight 220.268 g/mol
SMILES [C@@](CC(=O)OC)(CC(=O)C)(c1ccccc1)[H]
SPLASH splash10-03dj-0910000000-33a03b2cbe04aac923d5
Source of Spectrum J-54-3971-0
Wiley ID 1219920