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Phthalic acid, decyl 3-fluorobenzyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 3-fluorobenzyl ester
SpectraBase Compound ID LgEngEg4mo7
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-11-17-29-24(27)22-15-9-10-16-23(22)25(28)30-19-20-13-12-14-21(26)18-20/h9-10,12-16,18H,2-8,11,17,19H2,1H3
InChIKey XAIZCEQRRYICHN-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 8mvdFlSmdR2
Name Phthalic acid, decyl 3-fluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.220637637 u
Formula C25H31FO4
InChI InChI=1S/C25H31FO4/c1-2-3-4-5-6-7-8-11-17-29-24(27)22-15-9-10-16-23(22)25(28)30-19-20-13-12-14-21(26)18-20/h9-10,12-16,18H,2-8,11,17,19H2,1H3
InChIKey XAIZCEQRRYICHN-UHFFFAOYSA-N
Molecular Weight 414.517 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)F)=O)(OCCCCCCCCCC)=O