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Isophthalic acid, 3,5-difluorophenyl decyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,5-difluorophenyl decyl ester
SpectraBase Compound ID Fya1RSxcbQC
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-8-9-13-29-23(27)18-11-10-12-19(14-18)24(28)30-22-16-20(25)15-21(26)17-22/h10-12,14-17H,2-9,13H2,1H3
InChIKey OSOYDPGHCHPSOZ-UHFFFAOYSA-N
Mol Weight 418.48 g/mol
Molecular Formula C24H28F2O4
Exact Mass 418.195566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jr1Nba4zEyh
Name Isophthalic acid, 3,5-difluorophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.195565704 u
Formula C24H28F2O4
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-8-9-13-29-23(27)18-11-10-12-19(14-18)24(28)30-22-16-20(25)15-21(26)17-22/h10-12,14-17H,2-9,13H2,1H3
InChIKey OSOYDPGHCHPSOZ-UHFFFAOYSA-N
Molecular Weight 418.481 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=CC(=CC=C1)C(OCCCCCCCCCC)=O)=O