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(1R,3R,4S)-3-(4-fluorophenyl)-4-hydroxy-1-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 2fkGf1aoszV
InChI InChI=1S/C14H17FO3/c1-18-14(17)10-4-7-13(16)12(8-10)9-2-5-11(15)6-3-9/h2-3,5-6,10,12-13,16H,4,7-8H2,1H3/t10-,12-,13+/m1/s1
InChIKey GPAAQINNSKALEG-RTXFEEFZSA-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 2QCqPSQFfYh
Name (1R,3R,4S)-3-(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)10-4-7-13(16)12(8-10)9-2-5-11(15)6-3-9/h2-3,5-6,10,12-13,16H,4,7-8H2,1H3/t10-,12-,13+/m1/s1
InChIKey GPAAQINNSKALEG-RTXFEEFZSA-N
Molecular Weight 252.285 g/mol
SMILES O[C@@]1([C@](C[C@](C(=O)OC)(CC1)[H])(c1ccc(cc1)F)[H])[H]
SPLASH splash10-05fr-0900000000-b1d4cf678bee07190cc9
Source of Spectrum KC-0-506-5
Synonyms (1R,3R,4S)-3-(4-fluorophenyl)-4-hydroxy-cyclohexanecarboxylic acid methyl ester Methyl (1R,3R,4S)-3-(4-fluorophenyl)-4-hydroxy-cyclohexanecarboxylate Methyl (1R,3R,4S)-3-(4-fluorophenyl)-4-hydroxycyclohexane-1-carboxylate Methyl (1R,3R,4S)-3-(4-fluorophenyl)-4-oxidanyl-cyclohexane-1-carboxylate
Wiley ID 824373