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Methyl (1S,2R)-2-phenacylcyclohexanecarboxylate

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

Methyl (1S,2R)-2-phenacylcyclohexanecarboxylate
SpectraBase Compound ID HSq8RnxtLuu
InChI InChI=1S/C16H20O3/c1-19-16(18)14-10-6-5-9-13(14)11-15(17)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3/t13-,14+/m1/s1
InChIKey NWYCHJDCRWIXMJ-KGLIPLIRSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhnsoA1NXR5
Name Methyl (1S,2R)-2-phenacylcyclohexanecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 260.141244501 u
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-19-16(18)14-10-6-5-9-13(14)11-15(17)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3/t13-,14+/m1/s1
InChIKey NWYCHJDCRWIXMJ-KGLIPLIRSA-N
Molecular Weight 260.333 g/mol
SMILES C([C@@]1([C@@](CC(=O)C=2C=CC=CC2)(CCCC1)[H])[H])(=O)OC