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Phthalic acid, 2,2,2-trifluoroethyl pentyl ester
SpectraBase Compound ID JzAo3xsFgI8
InChI InChI=1S/C15H17F3O4/c1-2-3-6-9-21-13(19)11-7-4-5-8-12(11)14(20)22-10-15(16,17)18/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKey AXRFBEYIXDFDFK-UHFFFAOYSA-N
Mol Weight 318.29 g/mol
Molecular Formula C15H17F3O4
Exact Mass 318.107894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAn6pQ95wz0
Name Phthalic acid, 2,2,2-trifluoroethyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.107893512 u
Formula C15H17F3O4
InChI InChI=1S/C15H17F3O4/c1-2-3-6-9-21-13(19)11-7-4-5-8-12(11)14(20)22-10-15(16,17)18/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKey AXRFBEYIXDFDFK-UHFFFAOYSA-N
Molecular Weight 318.292 g/mol
SMILES C1=CC=CC(=C1C(OCCCCC)=O)C(OCC(F)(F)F)=O