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(1S,2R)-2-(4-Fluoro-benzoyl)-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 5RK7FRpmpez
InChI InChI=1S/C15H17FO3/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h6-9,12-13H,2-5H2,1H3/t12-,13+/m1/s1
InChIKey DNNJFIKBDISQRB-OLZOCXBDSA-N
Mol Weight 264.3 g/mol
Molecular Formula C15H17FO3
Exact Mass 264.116173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUrTK7YfVUD
Name (1S,2R)-2-(4-Fluoro-benzoyl)-cyclohexanecarboxylic acid methyl ester
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Formula C15H17FO3
InChI InChI=1S/C15H17FO3/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h6-9,12-13H,2-5H2,1H3/t12-,13+/m1/s1
InChIKey DNNJFIKBDISQRB-OLZOCXBDSA-N
Molecular Weight 264.296 g/mol
SMILES C([C@]1([C@@](C(=O)OC)(CCCC1)[H])[H])(c1ccc(cc1)F)=O
SPLASH splash10-00di-3910000000-fc779cdc99a259de4a31
Source of Spectrum Y4-82-218-0
Synonyms Methyl (1S,2R)-2-(4-fluorobenzoyl)cyclohexanecarboxylate Methyl (cis)-2-(4'-fluorobenzoyl)cyclohexane-1-carboxylate
Wiley ID 1513417