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Phthalic acid, di(2,5-difluorobenzyl) ester
SpectraBase Compound ID 8bXdNhAjQhg
InChI InChI=1S/C22H14F4O4/c23-15-5-7-19(25)13(9-15)11-29-21(27)17-3-1-2-4-18(17)22(28)30-12-14-10-16(24)6-8-20(14)26/h1-10H,11-12H2
InChIKey HBMSUTAWAGBVIX-UHFFFAOYSA-N
Mol Weight 418.34 g/mol
Molecular Formula C22H14F4O4
Exact Mass 418.082822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vP6Zk6G5sG
Name Phthalic acid, di(2,5-difluorobenzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 418.082821579 u
Formula C22H14F4O4
InChI InChI=1S/C22H14F4O4/c23-15-5-7-19(25)13(9-15)11-29-21(27)17-3-1-2-4-18(17)22(28)30-12-14-10-16(24)6-8-20(14)26/h1-10H,11-12H2
InChIKey HBMSUTAWAGBVIX-UHFFFAOYSA-N
Molecular Weight 418.344 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCC1=CC(=CC=C1F)F)=O