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(1S,2S,4R)-2-(4-fluorophenyl)-4-hydroxy-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID KoJqq5UB7sf
InChI InChI=1S/C14H17FO3/c1-18-14(17)12-7-6-11(16)8-13(12)9-2-4-10(15)5-3-9/h2-5,11-13,16H,6-8H2,1H3/t11-,12+,13-/m1/s1
InChIKey ARFGIGPJYUVYBL-FRRDWIJNSA-N
Mol Weight 252.29 g/mol
Molecular Formula C14H17FO3
Exact Mass 252.116173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbiHSIfFw8t
Name (1S,2S,4R)-2-(4-fluorophenyl)-4-hydroxy-1-cyclohexanecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17FO3
InChI InChI=1S/C14H17FO3/c1-18-14(17)12-7-6-11(16)8-13(12)9-2-4-10(15)5-3-9/h2-5,11-13,16H,6-8H2,1H3/t11-,12+,13-/m1/s1
InChIKey ARFGIGPJYUVYBL-FRRDWIJNSA-N
Molecular Weight 252.285 g/mol
SMILES O[C@@]1(CC[C@@]([C@@](c2ccc(cc2)F)(C1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-003r-0690000000-572d5025dabd441e2312
Source of Spectrum KC-0-506-4
Synonyms (1S,2S,4R)-2-(4-fluorophenyl)-4-hydroxy-cyclohexanecarboxylic acid methyl ester Methyl (1S,2S,4R)-2-(4-fluorophenyl)-4-hydroxy-cyclohexanecarboxylate Methyl (1S,2S,4R)-2-(4-fluorophenyl)-4-hydroxycyclohexane-1-carboxylate Methyl (1S,2S,4R)-2-(4-fluorophenyl)-4-oxidanyl-cyclohexane-1-carboxylate
Wiley ID 824374