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Glutaric acid, 2-methylhex-3-yl 4-(trifluoromethyl)benzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylhex-3-yl 4-(trifluoromethyl)benzyl ester
SpectraBase Compound ID 8SrfZmvSu5m
InChI InChI=1S/C20H27F3O4/c1-4-6-17(14(2)3)27-19(25)8-5-7-18(24)26-13-15-9-11-16(12-10-15)20(21,22)23/h9-12,14,17H,4-8,13H2,1-3H3
InChIKey WQPFIAYWZBXOOG-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 DUEp04rZIkp
Name Glutaric acid, 2-methylhex-3-yl 4-(trifluoromethyl)benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.186143834 u
Formula C20H27F3O4
InChI InChI=1S/C20H27F3O4/c1-4-6-17(14(2)3)27-19(25)8-5-7-18(24)26-13-15-9-11-16(12-10-15)20(21,22)23/h9-12,14,17H,4-8,13H2,1-3H3
InChIKey WQPFIAYWZBXOOG-UHFFFAOYSA-N
Molecular Weight 388.427 g/mol
SMILES C(OCC1=CC=C(C=C1)C(F)(F)F)(=O)CCCC(OC(CCC)C(C)C)=O