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Phthalic acid, tetradecyl 2-trifluoromethylbenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, tetradecyl 2-trifluoromethylbenzyl ester
SpectraBase Compound ID 7ZEFZzbFoIa
InChI InChI=1S/C30H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-36-28(34)25-19-14-15-20-26(25)29(35)37-23-24-18-13-16-21-27(24)30(31,32)33/h13-16,18-21H,2-12,17,22-23H2,1H3
InChIKey NSDXZBPOZQECRT-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 AAQ8mZTysTt
Name Phthalic acid, tetradecyl 2-trifluoromethylbenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 520.280044221 u
Formula C30H39F3O4
InChI InChI=1S/C30H39F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-36-28(34)25-19-14-15-20-26(25)29(35)37-23-24-18-13-16-21-27(24)30(31,32)33/h13-16,18-21H,2-12,17,22-23H2,1H3
InChIKey NSDXZBPOZQECRT-UHFFFAOYSA-N
Molecular Weight 520.633 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=CC=CC1C(F)(F)F)=O)(OCCCCCCCCCCCCCC)=O