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

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Phthalic acid, dodecyl 2,2,2-trifluoro-1-phenylethyl ester
SpectraBase Compound ID FuVL712D1Lf
InChI InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-16-21-34-26(32)23-19-14-15-20-24(23)27(33)35-25(28(29,30)31)22-17-12-11-13-18-22/h11-15,17-20,25H,2-10,16,21H2,1H3
InChIKey ZMHZBZSWWPQXEK-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H35F3O4
Exact Mass 492.248744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaOhdocibBo
Name Phthalic acid, dodecyl 2,2,2-trifluoro-1-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.248744092 u
Formula C28H35F3O4
InChI InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-16-21-34-26(32)23-19-14-15-20-24(23)27(33)35-25(28(29,30)31)22-17-12-11-13-18-22/h11-15,17-20,25H,2-10,16,21H2,1H3
InChIKey ZMHZBZSWWPQXEK-UHFFFAOYSA-N
Molecular Weight 492.579 g/mol
SMILES C(C1=CC=CC=C1C(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OCCCCCCCCCCCC)=O