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

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Phthalic acid, hexadecyl 2,3,4,5-tetrafluorobenzyl ester
SpectraBase Compound ID KXhEUHwOzSs
InChI InChI=1S/C31H40F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-38-30(36)24-18-15-16-19-25(24)31(37)39-22-23-21-26(32)28(34)29(35)27(23)33/h15-16,18-19,21H,2-14,17,20,22H2,1H3
InChIKey LUZPEAQLJSNLOO-UHFFFAOYSA-N
Mol Weight 552.7 g/mol
Molecular Formula C31H40F4O4
Exact Mass 552.286272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPymnQw26ol
Name Phthalic acid, hexadecyl 2,3,4,5-tetrafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 552.286272416 u
Formula C31H40F4O4
InChI InChI=1S/C31H40F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-38-30(36)24-18-15-16-19-25(24)31(37)39-22-23-21-26(32)28(34)29(35)27(23)33/h15-16,18-19,21H,2-14,17,20,22H2,1H3
InChIKey LUZPEAQLJSNLOO-UHFFFAOYSA-N
Molecular Weight 552.651 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=C(C(=C(C(=C1)F)F)F)F)=O)(OCCCCCCCCCCCCCCCC)=O