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Phthalic acid, octyl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, octyl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID FSCrIwzALA1
InChI InChI=1S/C24H27F3O5/c1-2-3-4-5-6-9-16-30-22(28)20-10-7-8-11-21(20)23(29)31-17-18-12-14-19(15-13-18)32-24(25,26)27/h7-8,10-15H,2-6,9,16-17H2,1H3
InChIKey NGDMSOPDFDTKPR-UHFFFAOYSA-N
Mol Weight 452.47 g/mol
Molecular Formula C24H27F3O5
Exact Mass 452.181058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KG8aIVUbzvD
Name Phthalic acid, octyl 4-trifluoromethoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.181058453 u
Formula C24H27F3O5
InChI InChI=1S/C24H27F3O5/c1-2-3-4-5-6-9-16-30-22(28)20-10-7-8-11-21(20)23(29)31-17-18-12-14-19(15-13-18)32-24(25,26)27/h7-8,10-15H,2-6,9,16-17H2,1H3
InChIKey NGDMSOPDFDTKPR-UHFFFAOYSA-N
Molecular Weight 452.470 g/mol
SMILES C(OC(C1=CC=CC=C1C(OCCCCCCCC)=O)=O)C1=CC=C(C=C1)OC(F)(F)F