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Glutaric acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID 4jkvheg6zy1
InChI InChI=1S/C20H27F3O4/c1-4-9-16(14(2)3)26-17(24)12-8-13-18(25)27-19(20(21,22)23)15-10-6-5-7-11-15/h5-7,10-11,14,16,19H,4,8-9,12-13H2,1-3H3
InChIKey NSLJNSPKYXPQJU-UHFFFAOYSA-N
Mol Weight 388.43 g/mol
Molecular Formula C20H27F3O4
Exact Mass 388.186144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xLybm2oJwG
Name Glutaric acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.186143834 u
Formula C20H27F3O4
InChI InChI=1S/C20H27F3O4/c1-4-9-16(14(2)3)26-17(24)12-8-13-18(25)27-19(20(21,22)23)15-10-6-5-7-11-15/h5-7,10-11,14,16,19H,4,8-9,12-13H2,1-3H3
InChIKey NSLJNSPKYXPQJU-UHFFFAOYSA-N
Molecular Weight 388.427 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OC(CCC)C(C)C)=O