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Phthalic acid, tetradecyl 2,4,5-trifluorobenzyl ester

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Phthalic acid, tetradecyl 2,4,5-trifluorobenzyl ester
SpectraBase Compound ID 5k5cORU4SR4
InChI InChI=1S/C29H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-35-28(33)23-16-13-14-17-24(23)29(34)36-21-22-19-26(31)27(32)20-25(22)30/h13-14,16-17,19-20H,2-12,15,18,21H2,1H3
InChIKey VIOQWBFQWCYOCY-UHFFFAOYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C29H37F3O4
Exact Mass 506.264394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRuigRdl2ta
Name Phthalic acid, tetradecyl 2,4,5-trifluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.264394156 u
Formula C29H37F3O4
InChI InChI=1S/C29H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-35-28(33)23-16-13-14-17-24(23)29(34)36-21-22-19-26(31)27(32)20-25(22)30/h13-14,16-17,19-20H,2-12,15,18,21H2,1H3
InChIKey VIOQWBFQWCYOCY-UHFFFAOYSA-N
Molecular Weight 506.606 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C(OCC1=C(C=C(C(=C1)F)F)F)=O