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Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-(4-methoxyphenyl)cyclohexyl ester

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Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-(4-methoxyphenyl)cyclohexyl ester
SpectraBase Compound ID 3GJRVO7h9Zf
InChI InChI=1S/C21H26F4O5/c1-28-16-9-5-14(6-10-16)15-7-11-17(12-8-15)30-19(27)4-2-3-18(26)29-13-21(24,25)20(22)23/h5-6,9-10,15,17,20H,2-4,7-8,11-13H2,1H3
InChIKey LNWOWQHLLRABNA-UHFFFAOYSA-N
Mol Weight 434.43 g/mol
Molecular Formula C21H26F4O5
Exact Mass 434.171637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6t1H07dJ5DQ
Name Glutaric acid, 2,2,3,3-tetrafluoropropyl 4-(4-methoxyphenyl)cyclohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.171636584 u
Formula C21H26F4O5
InChI InChI=1S/C21H26F4O5/c1-28-16-9-5-14(6-10-16)15-7-11-17(12-8-15)30-19(27)4-2-3-18(26)29-13-21(24,25)20(22)23/h5-6,9-10,15,17,20H,2-4,7-8,11-13H2,1H3
InChIKey LNWOWQHLLRABNA-UHFFFAOYSA-N
Molecular Weight 434.428 g/mol
SMILES C(CCC(OCC(C(F)F)(F)F)=O)C(OC1CCC(C2=CC=C(OC)C=C2)CC1)=O