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Phthalic acid, 1-(2,6-difluorophenyl)ethyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-(2,6-difluorophenyl)ethyl dodecyl ester
SpectraBase Compound ID Gc3K6IPFDxy
InChI InChI=1S/C28H36F2O4/c1-3-4-5-6-7-8-9-10-11-14-20-33-27(31)22-16-12-13-17-23(22)28(32)34-21(2)26-24(29)18-15-19-25(26)30/h12-13,15-19,21H,3-11,14,20H2,1-2H3
InChIKey ASOYNBUWHBOLEZ-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C28H36F2O4
Exact Mass 474.258166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfXhWKdNVlz
Name Phthalic acid, 1-(2,6-difluorophenyl)ethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.258165961 u
Formula C28H36F2O4
InChI InChI=1S/C28H36F2O4/c1-3-4-5-6-7-8-9-10-11-14-20-33-27(31)22-16-12-13-17-23(22)28(32)34-21(2)26-24(29)18-15-19-25(26)30/h12-13,15-19,21H,3-11,14,20H2,1-2H3
InChIKey ASOYNBUWHBOLEZ-UHFFFAOYSA-N
Molecular Weight 474.589 g/mol
SMILES C(C1=CC=CC=C1C(=O)OC(C)C1=C(C=CC=C1F)F)(OCCCCCCCCCCCC)=O