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(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-hydroxy-.alpha.-(4-[2-fluoroethyl]phenyl)benzeneacetic acid ester

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(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-hydroxy-.alpha.-(4-[2-fluoroethyl]phenyl)benzeneacetic acid ester
SpectraBase Compound ID 9cy9llB9RH3
InChI InChI=1S/C32H37FO3/c1-23-14-19-28(31(2,3)25-10-6-4-7-11-25)29(22-23)36-30(34)32(35,26-12-8-5-9-13-26)27-17-15-24(16-18-27)20-21-33/h4-13,15-18,23,28-29,35H,14,19-22H2,1-3H3/t23-,28-,29-,32-/m1/s1
InChIKey KYAIRSVCGWMAMP-CGAVVAMDSA-N
Mol Weight 488.6 g/mol
Molecular Formula C32H37FO3
Exact Mass 488.272673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CI9a3JmR4jM
Name (1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-hydroxy-.alpha.-(4-[2-fluoroethyl]phenyl)benzeneacetic acid ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.272673211 u
Formula C32H37FO3
InChI InChI=1S/C32H37FO3/c1-23-14-19-28(31(2,3)25-10-6-4-7-11-25)29(22-23)36-30(34)32(35,26-12-8-5-9-13-26)27-17-15-24(16-18-27)20-21-33/h4-13,15-18,23,28-29,35H,14,19-22H2,1-3H3/t23-,28-,29-,32-/m1/s1
InChIKey KYAIRSVCGWMAMP-CGAVVAMDSA-N
Molecular Weight 488.643 g/mol
SMILES C([C@](C1=CC=C(C=C1)CCF)(C1=CC=CC=C1)O)(O[C@]1([C@](C(C2=CC=CC=C2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O