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(3R)-5-keto-3-phenyl-hexanoic acid
SpectraBase Compound ID LLeqX1v2Mk2
InChI InChI=1S/C12H14O3/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey DUGWBMXFSCILOV-LLVKDONJSA-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 CI0dadDG3nX
Name (3R)-5-keto-3-phenyl-hexanoic acid
Alternate Name(s) (3R)-5-oxidanylidene-3-phenyl-hexanoic acid (3R)-5-oxo-3-phenyl-hexanoic acid
CAS Registry Number 122020-03-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-9(13)7-11(8-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey DUGWBMXFSCILOV-LLVKDONJSA-N
Molecular Weight 206.241 g/mol
SMILES OC(C[C@@](CC(=O)C)(c1ccccc1)[H])=O
SPLASH splash10-03dj-0900000000-6765e81f122d6f88e977
Source of Spectrum J-54-3972-0
Wiley ID 1204433