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Phthalic acid, 2,3,4,5-tetrafluorobenzyl tridecyl ester

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Phthalic acid, 2,3,4,5-tetrafluorobenzyl tridecyl ester
SpectraBase Compound ID LxY3NrEmGei
InChI InChI=1S/C28H34F4O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-35-27(33)21-15-12-13-16-22(21)28(34)36-19-20-18-23(29)25(31)26(32)24(20)30/h12-13,15-16,18H,2-11,14,17,19H2,1H3
InChIKey FFKRZVYPLGPNQJ-UHFFFAOYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C28H34F4O4
Exact Mass 510.239322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbfEMy9GERX
Name Phthalic acid, 2,3,4,5-tetrafluorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.239322223 u
Formula C28H34F4O4
InChI InChI=1S/C28H34F4O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-35-27(33)21-15-12-13-16-22(21)28(34)36-19-20-18-23(29)25(31)26(32)24(20)30/h12-13,15-16,18H,2-11,14,17,19H2,1H3
InChIKey FFKRZVYPLGPNQJ-UHFFFAOYSA-N
Molecular Weight 510.570 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=C(C(=C(C(=C1)F)F)F)F)=O)(OCCCCCCCCCCCCC)=O