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(5S)-Methyl .delta.-chloroacetyloxy-.delta.-phenyl-.beta.-oxo-pentanoate

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

(5S)-Methyl .delta.-chloroacetyloxy-.delta.-phenyl-.beta.-oxo-pentanoate
SpectraBase Compound ID L7dXxZmapyT
InChI InChI=1S/C14H15ClO5/c1-19-13(17)8-11(16)7-12(20-14(18)9-15)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
InChIKey RZMMZHYMUMIGRI-LBPRGKRZSA-N
Mol Weight 298.72 g/mol
Molecular Formula C14H15ClO5
Exact Mass 298.060801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LmLxv16Jpt4
Name (5S)-Methyl .delta.-chloroacetyloxy-.delta.-phenyl-.beta.-oxo-pentanoate
Comments Computed using HOSE algorithm
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Exact Mass 298.060801278 u
Formula C14H15ClO5
InChI InChI=1S/C14H15ClO5/c1-19-13(17)8-11(16)7-12(20-14(18)9-15)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
InChIKey RZMMZHYMUMIGRI-LBPRGKRZSA-N
Molecular Weight 298.722 g/mol
SMILES [C@](CC(CC(=O)OC)=O)(OC(=O)CCl)(C1=CC=CC=C1)[H]