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Phthalic acid, 2,2,2-trifluoroethyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2,2-trifluoroethyl undecyl ester
SpectraBase Compound ID JLvYw1C6k38
InChI InChI=1S/C21H29F3O4/c1-2-3-4-5-6-7-8-9-12-15-27-19(25)17-13-10-11-14-18(17)20(26)28-16-21(22,23)24/h10-11,13-14H,2-9,12,15-16H2,1H3
InChIKey CNBZZFZINBXADL-UHFFFAOYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C21H29F3O4
Exact Mass 402.201794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UkWGLKmmye
Name Phthalic acid, 2,2,2-trifluoroethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.201793899 u
Formula C21H29F3O4
InChI InChI=1S/C21H29F3O4/c1-2-3-4-5-6-7-8-9-12-15-27-19(25)17-13-10-11-14-18(17)20(26)28-16-21(22,23)24/h10-11,13-14H,2-9,12,15-16H2,1H3
InChIKey CNBZZFZINBXADL-UHFFFAOYSA-N
Molecular Weight 402.454 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCC)=O)C(OCC(F)(F)F)=O