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Isophthalic acid, 2-fluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-fluorophenyl undecyl ester
SpectraBase Compound ID qm6EigQVfq
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)20-14-13-15-21(19-20)25(28)30-23-17-11-10-16-22(23)26/h10-11,13-17,19H,2-9,12,18H2,1H3
InChIKey WEBAQRQSVHWHSG-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 Lca55nfm2Ri
Name Isophthalic 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/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)20-14-13-15-21(19-20)25(28)30-23-17-11-10-16-22(23)26/h10-11,13-17,19H,2-9,12,18H2,1H3
InChIKey WEBAQRQSVHWHSG-UHFFFAOYSA-N
Molecular Weight 414.517 g/mol
SMILES C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCCCCCCCCCC)=O