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Phthalic acid, 2,5-difluorobenzyl pentyl ester
SpectraBase Compound ID Bf2Da4AQCjV
InChI InChI=1S/C20H20F2O4/c1-2-3-6-11-25-19(23)16-7-4-5-8-17(16)20(24)26-13-14-12-15(21)9-10-18(14)22/h4-5,7-10,12H,2-3,6,11,13H2,1H3
InChIKey NGHHIPDRCYRXQZ-UHFFFAOYSA-N
Mol Weight 362.37 g/mol
Molecular Formula C20H20F2O4
Exact Mass 362.132965 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fDBpblk1Lp
Name Phthalic acid, 2,5-difluorobenzyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.132965446 u
Formula C20H20F2O4
InChI InChI=1S/C20H20F2O4/c1-2-3-6-11-25-19(23)16-7-4-5-8-17(16)20(24)26-13-14-12-15(21)9-10-18(14)22/h4-5,7-10,12H,2-3,6,11,13H2,1H3
InChIKey NGHHIPDRCYRXQZ-UHFFFAOYSA-N
Molecular Weight 362.373 g/mol
SMILES C(C1=CC=CC=C1C(OCC=1C=C(C=CC1F)F)=O)(OCCCCC)=O