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Phthalic acid, 4-trifluoromethylbenzyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-trifluoromethylbenzyl dodecyl ester
SpectraBase Compound ID 8sAUWbQ5xNP
InChI InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-13-20-34-26(32)24-14-11-12-15-25(24)27(33)35-21-22-16-18-23(19-17-22)28(29,30)31/h11-12,14-19H,2-10,13,20-21H2,1H3
InChIKey RXUAGYZAVNCGCS-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H35F3O4
Exact Mass 492.248744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlJTLHS1sGD
Name Phthalic acid, 4-trifluoromethylbenzyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.248744092 u
Formula C28H35F3O4
InChI InChI=1S/C28H35F3O4/c1-2-3-4-5-6-7-8-9-10-13-20-34-26(32)24-14-11-12-15-25(24)27(33)35-21-22-16-18-23(19-17-22)28(29,30)31/h11-12,14-19H,2-10,13,20-21H2,1H3
InChIKey RXUAGYZAVNCGCS-UHFFFAOYSA-N
Molecular Weight 492.579 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O