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Phthalic acid, 3,5-difluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,5-difluorophenyl undecyl ester
SpectraBase Compound ID A1BrIpFAWrC
InChI InChI=1S/C25H30F2O4/c1-2-3-4-5-6-7-8-9-12-15-30-24(28)22-13-10-11-14-23(22)25(29)31-21-17-19(26)16-20(27)18-21/h10-11,13-14,16-18H,2-9,12,15H2,1H3
InChIKey MRMSYJYIZMQMFT-UHFFFAOYSA-N
Mol Weight 432.51 g/mol
Molecular Formula C25H30F2O4
Exact Mass 432.211216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIVpl16Wl3a
Name Phthalic acid, 3,5-difluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.211215768 u
Formula C25H30F2O4
InChI InChI=1S/C25H30F2O4/c1-2-3-4-5-6-7-8-9-12-15-30-24(28)22-13-10-11-14-23(22)25(29)31-21-17-19(26)16-20(27)18-21/h10-11,13-14,16-18H,2-9,12,15H2,1H3
InChIKey MRMSYJYIZMQMFT-UHFFFAOYSA-N
Molecular Weight 432.508 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(=O)OCCCCCCCCCCC)=O