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Phthalic acid, 4-trifluoromethylbenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-trifluoromethylbenzyl pentadecyl ester
SpectraBase Compound ID 7VKHwZJPd7E
InChI InChI=1S/C31H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-37-29(35)27-17-14-15-18-28(27)30(36)38-24-25-19-21-26(22-20-25)31(32,33)34/h14-15,17-22H,2-13,16,23-24H2,1H3
InChIKey ZOIVJZDWUZZLMI-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C31H41F3O4
Exact Mass 534.295694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsLHJdhYeGF
Name Phthalic acid, 4-trifluoromethylbenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 534.295694285 u
Formula C31H41F3O4
InChI InChI=1S/C31H41F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-37-29(35)27-17-14-15-18-28(27)30(36)38-24-25-19-21-26(22-20-25)31(32,33)34/h14-15,17-22H,2-13,16,23-24H2,1H3
InChIKey ZOIVJZDWUZZLMI-UHFFFAOYSA-N
Molecular Weight 534.660 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O