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Phthalic acid, undecyl 2-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, undecyl 2-trifluoromethylbenzyl ester
SpectraBase Compound ID KepjJkbqFpz
InChI InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-14-19-33-25(31)22-16-11-12-17-23(22)26(32)34-20-21-15-10-13-18-24(21)27(28,29)30/h10-13,15-18H,2-9,14,19-20H2,1H3
InChIKey QIZDENQBWLXPIO-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C27H33F3O4
Exact Mass 478.233094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fl6MJSyrbJV
Name Phthalic acid, undecyl 2-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.233094028 u
Formula C27H33F3O4
InChI InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-14-19-33-25(31)22-16-11-12-17-23(22)26(32)34-20-21-15-10-13-18-24(21)27(28,29)30/h10-13,15-18H,2-9,14,19-20H2,1H3
InChIKey QIZDENQBWLXPIO-UHFFFAOYSA-N
Molecular Weight 478.552 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCCCCCCCCCCC)=O