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Phthalic acid, 3-fluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-fluorophenyl undecyl ester
SpectraBase Compound ID LoARY2vM5me
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)22-16-10-11-17-23(22)25(28)30-21-15-13-14-20(26)19-21/h10-11,13-17,19H,2-9,12,18H2,1H3
InChIKey AFGABVNXJXPXAE-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 7WkZZz8foPP
Name Phthalic acid, 3-fluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.220637637 u
Formula C25H31FO4
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)22-16-10-11-17-23(22)25(28)30-21-15-13-14-20(26)19-21/h10-11,13-17,19H,2-9,12,18H2,1H3
InChIKey AFGABVNXJXPXAE-UHFFFAOYSA-N
Molecular Weight 414.517 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCC)=O)C(OC1=CC(=CC=C1)F)=O