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Phthalic acid, 2,2,2-trifluoroethyl octadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2,2-trifluoroethyl octadecyl ester
SpectraBase Compound ID HQAlisqrVDa
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-26(32)24-20-17-18-21-25(24)27(33)35-23-28(29,30)31/h17-18,20-21H,2-16,19,22-23H2,1H3
InChIKey CEOUNBZICRPJBR-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C28H43F3O4
Exact Mass 500.311344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bv9AHtzFws4
Name Phthalic acid, 2,2,2-trifluoroethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.311344350 u
Formula C28H43F3O4
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-26(32)24-20-17-18-21-25(24)27(33)35-23-28(29,30)31/h17-18,20-21H,2-16,19,22-23H2,1H3
InChIKey CEOUNBZICRPJBR-UHFFFAOYSA-N
Molecular Weight 500.643 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCCCCC)=O)C(OCC(F)(F)F)=O