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

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Phthalic acid, 1-(2,6-difluorophenyl)ethyl tridecyl ester
SpectraBase Compound ID Gijd4LT4bH8
InChI InChI=1S/C29H38F2O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-34-28(32)23-17-13-14-18-24(23)29(33)35-22(2)27-25(30)19-16-20-26(27)31/h13-14,16-20,22H,3-12,15,21H2,1-2H3
InChIKey OGIMVSAYKFNGRA-UHFFFAOYSA-N
Mol Weight 488.6 g/mol
Molecular Formula C29H38F2O4
Exact Mass 488.273816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hras8l90s2p
Name Phthalic acid, 1-(2,6-difluorophenyl)ethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.273816026 u
Formula C29H38F2O4
InChI InChI=1S/C29H38F2O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-34-28(32)23-17-13-14-18-24(23)29(33)35-22(2)27-25(30)19-16-20-26(27)31/h13-14,16-20,22H,3-12,15,21H2,1-2H3
InChIKey OGIMVSAYKFNGRA-UHFFFAOYSA-N
Molecular Weight 488.616 g/mol
SMILES C(C1=CC=CC=C1C(=O)OC(C)C1=C(C=CC=C1F)F)(OCCCCCCCCCCCCC)=O