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Phthalic acid, 2-fluorobenzyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorobenzyl decyl ester
SpectraBase Compound ID 8lltj4LNTet
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-13-18-29-24(27)21-15-10-11-16-22(21)25(28)30-19-20-14-9-12-17-23(20)26/h9-12,14-17H,2-8,13,18-19H2,1H3
InChIKey MGUCKNQZNBSZJC-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 4KP6YbqNuFo
Name Phthalic acid, 2-fluorobenzyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.220637637 u
Formula C25H31FO4
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-13-18-29-24(27)21-15-10-11-16-22(21)25(28)30-19-20-14-9-12-17-23(20)26/h9-12,14-17H,2-8,13,18-19H2,1H3
InChIKey MGUCKNQZNBSZJC-UHFFFAOYSA-N
Molecular Weight 414.517 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCC)=O)C(OCC1=CC=CC=C1F)=O