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Phthalic acid, 3,4-difluorobenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-difluorobenzyl pentadecyl ester
SpectraBase Compound ID J3qwa6aLIHK
InChI InChI=1S/C30H40F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-35-29(33)25-17-14-15-18-26(25)30(34)36-23-24-19-20-27(31)28(32)22-24/h14-15,17-20,22H,2-13,16,21,23H2,1H3
InChIKey MEPVYDAZJWBHLD-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C30H40F2O4
Exact Mass 502.289466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gFVMeiEkBl
Name Phthalic acid, 3,4-difluorobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.289466090 u
Formula C30H40F2O4
InChI InChI=1S/C30H40F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-35-29(33)25-17-14-15-18-26(25)30(34)36-23-24-19-20-27(31)28(32)22-24/h14-15,17-20,22H,2-13,16,21,23H2,1H3
InChIKey MEPVYDAZJWBHLD-UHFFFAOYSA-N
Molecular Weight 502.643 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCCCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O