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Phthalic acid, 2-fluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorophenyl undecyl ester
SpectraBase Compound ID 2uQrzCffpp
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-9-14-19-29-24(27)20-15-10-11-16-21(20)25(28)30-23-18-13-12-17-22(23)26/h10-13,15-18H,2-9,14,19H2,1H3
InChIKey CMXAYPYOXJZJSL-UHFFFAOYSA-N
Mol Weight 414.52 g/mol
Molecular Formula C25H31FO4
Exact Mass 414.220638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59A8XZLmSQs
Name Phthalic acid, 2-fluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.220637637 u
Formula C25H31FO4
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-9-14-19-29-24(27)20-15-10-11-16-21(20)25(28)30-23-18-13-12-17-22(23)26/h10-13,15-18H,2-9,14,19H2,1H3
InChIKey CMXAYPYOXJZJSL-UHFFFAOYSA-N
Molecular Weight 414.517 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCC)=O)C(OC1=CC=CC=C1F)=O