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Glutaric acid, butyl 1-phenyl-2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, butyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID CIxJbD8EfZK
InChI InChI=1S/C17H21F3O4/c1-2-3-12-23-14(21)10-7-11-15(22)24-16(17(18,19)20)13-8-5-4-6-9-13/h4-6,8-9,16H,2-3,7,10-12H2,1H3
InChIKey XNDZVANFESWUQL-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C17H21F3O4
Exact Mass 346.139194 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnaIkhojO4S
Name Glutaric acid, butyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.139193641 u
Formula C17H21F3O4
InChI InChI=1S/C17H21F3O4/c1-2-3-12-23-14(21)10-7-11-15(22)24-16(17(18,19)20)13-8-5-4-6-9-13/h4-6,8-9,16H,2-3,7,10-12H2,1H3
InChIKey XNDZVANFESWUQL-UHFFFAOYSA-N
Molecular Weight 346.346 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCC)=O