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Phthalic acid, hexadecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexadecyl pentafluorophenyl ester
SpectraBase Compound ID ddQ2fDfQ8r
InChI InChI=1S/C30H37F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-38-29(36)21-18-15-16-19-22(21)30(37)39-28-26(34)24(32)23(31)25(33)27(28)35/h15-16,18-19H,2-14,17,20H2,1H3
InChIKey BDAUSKWXXIZRCB-UHFFFAOYSA-N
Mol Weight 556.6 g/mol
Molecular Formula C30H37F5O4
Exact Mass 556.2612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40DWoyEVKxj
Name Phthalic acid, hexadecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 556.261200482 u
Formula C30H37F5O4
InChI InChI=1S/C30H37F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-38-29(36)21-18-15-16-19-22(21)30(37)39-28-26(34)24(32)23(31)25(33)27(28)35/h15-16,18-19H,2-14,17,20H2,1H3
InChIKey BDAUSKWXXIZRCB-UHFFFAOYSA-N
Molecular Weight 556.614 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCCCCC)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O