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Phthalic acid, 2,2,2-trifluoro-1-phenylethyl undecyl ester

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Phthalic acid, 2,2,2-trifluoro-1-phenylethyl undecyl ester
SpectraBase Compound ID HY7WZdWQm2g
InChI InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-15-20-33-25(31)22-18-13-14-19-23(22)26(32)34-24(27(28,29)30)21-16-11-10-12-17-21/h10-14,16-19,24H,2-9,15,20H2,1H3
InChIKey KLOBUMUNUSSNII-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 2Dk90VUG7UG
Name Phthalic acid, 2,2,2-trifluoro-1-phenylethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.233094028 u
Formula C27H33F3O4
InChI InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-15-20-33-25(31)22-18-13-14-19-23(22)26(32)34-24(27(28,29)30)21-16-11-10-12-17-21/h10-14,16-19,24H,2-9,15,20H2,1H3
InChIKey KLOBUMUNUSSNII-UHFFFAOYSA-N
Molecular Weight 478.552 g/mol
SMILES C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCCCC)=O