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Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-(4-methoxyphenyl)cyclohexyl ester

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Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID 4T8MDgwGFfZ
InChI InChI=1S/C21H27F3O5/c1-14(21(22,23)24)28-19(25)4-3-5-20(26)29-18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3
InChIKey HLDDTPPGMIHVDE-UHFFFAOYSA-N
Mol Weight 416.44 g/mol
Molecular Formula C21H27F3O5
Exact Mass 416.181058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFbf4pd82nc
Name Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.181058453 u
Formula C21H27F3O5
InChI InChI=1S/C21H27F3O5/c1-14(21(22,23)24)28-19(25)4-3-5-20(26)29-18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-7,10-11,14,16,18H,3-5,8-9,12-13H2,1-2H3
InChIKey HLDDTPPGMIHVDE-UHFFFAOYSA-N
Molecular Weight 416.437 g/mol
SMILES C(CCC(OC(C)C(F)(F)F)=O)C(OC1CCC(C2=CC=C(OC)C=C2)CC1)=O