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(1S,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
SpectraBase Compound ID 2Dt3hMZ06YN
InChI InChI=1S/C14H15FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h5-8,11-12H,1-4H2,(H,17,18)/t11-,12-/m0/s1
InChIKey RCCIJJKDNJBQIL-RYUDHWBXSA-N
Mol Weight 250.27 g/mol
Molecular Formula C14H15FO3
Exact Mass 250.100523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2r01Wmix3tq
Name (1S,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
Alternate Name(s) (1S,2S)-2-(4-fluorobenzoyl)cyclohexanecarboxylic acid (1S,2S)-2-(4-fluorophenyl)carbonylcyclohexane-1-carboxylic acid (1S,2S)-2-[(4-fluorophenyl)-oxomethyl]-1-cyclohexanecarboxylic acid
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Formula C14H15FO3
InChI InChI=1S/C14H15FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h5-8,11-12H,1-4H2,(H,17,18)/t11-,12-/m0/s1
InChIKey RCCIJJKDNJBQIL-RYUDHWBXSA-N
Molecular Weight 250.269 g/mol
SMILES OC([C@@]1([C@@](C(c2ccc(cc2)F)=O)(CCCC1)[H])[H])=O
SPLASH splash10-00di-3910000000-06b2e532f1a90e39d428
Source of Spectrum Y4-82-218-0
Wiley ID 1513418