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Phthalic acid, 3,4-difluorobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-difluorobenzyl nonyl ester
SpectraBase Compound ID 25ZaqAGlviE
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-10-15-29-23(27)19-11-8-9-12-20(19)24(28)30-17-18-13-14-21(25)22(26)16-18/h8-9,11-14,16H,2-7,10,15,17H2,1H3
InChIKey VYFRVDDHDSOFQD-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 2ZyG9uMkLMj
Name Phthalic acid, 3,4-difluorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.195565704 u
Formula C24H28F2O4
InChI InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-10-15-29-23(27)19-11-8-9-12-20(19)24(28)30-17-18-13-14-21(25)22(26)16-18/h8-9,11-14,16H,2-7,10,15,17H2,1H3
InChIKey VYFRVDDHDSOFQD-UHFFFAOYSA-N
Molecular Weight 418.481 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OCC1=CC=C(C(=C1)F)F)=O