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Phthalic acid, 4-trifluoromethylbenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-trifluoromethylbenzyl tetradecyl ester
SpectraBase Compound ID 8DCg92lPO2L
InChI InChI=1S/C30H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-36-28(34)26-16-13-14-17-27(26)29(35)37-23-24-18-20-25(21-19-24)30(31,32)33/h13-14,16-21H,2-12,15,22-23H2,1H3
InChIKey UFKCYOOPDRGNAL-UHFFFAOYSA-N
Mol Weight 520.6 g/mol
Molecular Formula C30H39F3O4
Exact Mass 520.280044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaDKDWsh0zw
Name Phthalic acid, 4-trifluoromethylbenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 520.280044221 u
Formula C30H39F3O4
InChI InChI=1S/C30H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-36-28(34)26-16-13-14-17-27(26)29(35)37-23-24-18-20-25(21-19-24)30(31,32)33/h13-14,16-21H,2-12,15,22-23H2,1H3
InChIKey UFKCYOOPDRGNAL-UHFFFAOYSA-N
Molecular Weight 520.633 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O