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Isophthalic acid, 3,5-difluorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-difluorophenyl dodecyl ester
SpectraBase Compound ID c2MMuVfBBJ
InChI InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-10-11-15-31-25(29)20-13-12-14-21(16-20)26(30)32-24-18-22(27)17-23(28)19-24/h12-14,16-19H,2-11,15H2,1H3
InChIKey ZGKXHRKLZBOLLT-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 2LsrYSg58h1
Name Isophthalic acid, 3,5-difluorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.226865832 u
Formula C26H32F2O4
InChI InChI=1S/C26H32F2O4/c1-2-3-4-5-6-7-8-9-10-11-15-31-25(29)20-13-12-14-21(16-20)26(30)32-24-18-22(27)17-23(28)19-24/h12-14,16-19H,2-11,15H2,1H3
InChIKey ZGKXHRKLZBOLLT-UHFFFAOYSA-N
Molecular Weight 446.535 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=CC(=CC=C1)C(OCCCCCCCCCCCC)=O)=O