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Phthalic acid, 4-trifluoromethylbenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-trifluoromethylbenzyl tridecyl ester
SpectraBase Compound ID FHExvikQfYB
InChI InChI=1S/C29H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-35-27(33)25-15-12-13-16-26(25)28(34)36-22-23-17-19-24(20-18-23)29(30,31)32/h12-13,15-20H,2-11,14,21-22H2,1H3
InChIKey UZMSQUALJPNKDH-UHFFFAOYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C29H37F3O4
Exact Mass 506.264394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPPyo1hSrtk
Name Phthalic acid, 4-trifluoromethylbenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.264394156 u
Formula C29H37F3O4
InChI InChI=1S/C29H37F3O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-35-27(33)25-15-12-13-16-26(25)28(34)36-22-23-17-19-24(20-18-23)29(30,31)32/h12-13,15-20H,2-11,14,21-22H2,1H3
InChIKey UZMSQUALJPNKDH-UHFFFAOYSA-N
Molecular Weight 506.606 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCC)=O)C(OCC1=CC=C(C=C1)C(F)(F)F)=O