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Phthalic acid, 2,2,2-trifluoroethyl heptadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,2,2-trifluoroethyl heptadecyl ester
SpectraBase Compound ID AJv3Ic17HuQ
InChI InChI=1S/C27H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-25(31)23-19-16-17-20-24(23)26(32)34-22-27(28,29)30/h16-17,19-20H,2-15,18,21-22H2,1H3
InChIKey AZUAZTMAWARQFI-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C27H41F3O4
Exact Mass 486.295694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ATzCa3iV81
Name Phthalic acid, 2,2,2-trifluoroethyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.295694285 u
Formula C27H41F3O4
InChI InChI=1S/C27H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-33-25(31)23-19-16-17-20-24(23)26(32)34-22-27(28,29)30/h16-17,19-20H,2-15,18,21-22H2,1H3
InChIKey AZUAZTMAWARQFI-UHFFFAOYSA-N
Molecular Weight 486.616 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCCCC)=O)C(OCC(F)(F)F)=O