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Phthalic acid, decyl 3,5-difluorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 3,5-difluorophenyl ester
SpectraBase Compound ID 5NxGJRvV2nd
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-8-11-14-29-23(27)21-12-9-10-13-22(21)24(28)30-20-16-18(25)15-19(26)17-20/h9-10,12-13,15-17H,2-8,11,14H2,1H3
InChIKey GVVSABAKOQMZOR-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 AK2MHU84bF4
Name Phthalic acid, decyl 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.195565704 u
Formula C24H28F2O4
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-8-11-14-29-23(27)21-12-9-10-13-22(21)24(28)30-20-16-18(25)15-19(26)17-20/h9-10,12-13,15-17H,2-8,11,14H2,1H3
InChIKey GVVSABAKOQMZOR-UHFFFAOYSA-N
Molecular Weight 418.481 g/mol
SMILES C1=C(C=C(C=C1F)F)OC(C1=C(C=CC=C1)C(=O)OCCCCCCCCCC)=O