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Phthalic acid, decyl 4-fluorobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 4-fluorobenzyl ester
SpectraBase Compound ID CDQ31uv1ani
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-11-18-29-24(27)22-12-9-10-13-23(22)25(28)30-19-20-14-16-21(26)17-15-20/h9-10,12-17H,2-8,11,18-19H2,1H3
InChIKey GAJQUWHZXVWNFS-UHFFFAOYSA-N
Mol Weight 414.52 g/mol
Molecular Formula C25H31FO4
Exact Mass 414.220638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62VgDfRQqf3
Name Phthalic acid, decyl 4-fluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.220637637 u
Formula C25H31FO4
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-11-18-29-24(27)22-12-9-10-13-23(22)25(28)30-19-20-14-16-21(26)17-15-20/h9-10,12-17H,2-8,11,18-19H2,1H3
InChIKey GAJQUWHZXVWNFS-UHFFFAOYSA-N
Molecular Weight 414.517 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCC)=O