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Phthalic acid, pentafluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, pentafluorophenyl tridecyl ester
SpectraBase Compound ID HmkHMMRvqpD
InChI InChI=1S/C27H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-35-26(33)18-15-12-13-16-19(18)27(34)36-25-23(31)21(29)20(28)22(30)24(25)32/h12-13,15-16H,2-11,14,17H2,1H3
InChIKey BOXJJYUCXNCTRR-UHFFFAOYSA-N
Mol Weight 514.53 g/mol
Molecular Formula C27H31F5O4
Exact Mass 514.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQ2FNd3Ox3v
Name Phthalic acid, pentafluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 514.214250289 u
Formula C27H31F5O4
InChI InChI=1S/C27H31F5O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-35-26(33)18-15-12-13-16-19(18)27(34)36-25-23(31)21(29)20(28)22(30)24(25)32/h12-13,15-16H,2-11,14,17H2,1H3
InChIKey BOXJJYUCXNCTRR-UHFFFAOYSA-N
Molecular Weight 514.533 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O