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Phthalic acid, decyl 1-(2,6-difluorophenyl)ethyl ester
SpectraBase Compound ID Lmn99fO2LjN
InChI InChI=1S/C26H32F2O4/c1-3-4-5-6-7-8-9-12-18-31-25(29)20-14-10-11-15-21(20)26(30)32-19(2)24-22(27)16-13-17-23(24)28/h10-11,13-17,19H,3-9,12,18H2,1-2H3
InChIKey RBPAGCOIWDPTKH-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H32F2O4
Exact Mass 446.226866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6hTwjt7axkJ
Name Phthalic acid, decyl 1-(2,6-difluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.226865832 u
Formula C26H32F2O4
InChI InChI=1S/C26H32F2O4/c1-3-4-5-6-7-8-9-12-18-31-25(29)20-14-10-11-15-21(20)26(30)32-19(2)24-22(27)16-13-17-23(24)28/h10-11,13-17,19H,3-9,12,18H2,1-2H3
InChIKey RBPAGCOIWDPTKH-UHFFFAOYSA-N
Molecular Weight 446.535 g/mol
SMILES C(C1=CC=CC=C1C(=O)OC(C)C1=C(C=CC=C1F)F)(OCCCCCCCCCC)=O