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Phthalic acid, heptadecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptadecyl pentafluorophenyl ester
SpectraBase Compound ID 7WjCGuG5oKR
InChI InChI=1S/C31H39F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-39-30(37)22-19-16-17-20-23(22)31(38)40-29-27(35)25(33)24(32)26(34)28(29)36/h16-17,19-20H,2-15,18,21H2,1H3
InChIKey VGINDGOSKODBBO-UHFFFAOYSA-N
Mol Weight 570.6 g/mol
Molecular Formula C31H39F5O4
Exact Mass 570.276851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oHc78YnALP
Name Phthalic acid, heptadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 570.276850547 u
Formula C31H39F5O4
InChI InChI=1S/C31H39F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-39-30(37)22-19-16-17-20-23(22)31(38)40-29-27(35)25(33)24(32)26(34)28(29)36/h16-17,19-20H,2-15,18,21H2,1H3
InChIKey VGINDGOSKODBBO-UHFFFAOYSA-N
Molecular Weight 570.641 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCCCCCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O