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methyl-(3R)-(-)-5-oxo-3-phenylpentanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

methyl-(3R)-(-)-5-oxo-3-phenylpentanoate
SpectraBase Compound ID 1p0pa9m0od9
InChI InChI=1S/C12H14O3/c1-15-12(14)9-11(7-8-13)10-5-3-2-4-6-10/h2-6,8,11H,7,9H2,1H3/t11-/m1/s1
InChIKey YWOJVMHWYVIKIW-LLVKDONJSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EEKxKRK2obA
Name Methyl-(3R)-(-)-5-oxo-3-phenylpentanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.094294308 u
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-15-12(14)9-11(7-8-13)10-5-3-2-4-6-10/h2-6,8,11H,7,9H2,1H3/t11-/m1/s1
InChIKey YWOJVMHWYVIKIW-LLVKDONJSA-N
Molecular Weight 206.241 g/mol
SMILES C(C[C@](C1=CC=CC=C1)(CC=O)[H])(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946838