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Phthalic acid, 3-fluorophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-fluorophenyl tetradecyl ester
SpectraBase Compound ID 8ipGCvh9EvC
InChI InChI=1S/C28H37FO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-32-27(30)25-19-13-14-20-26(25)28(31)33-24-18-16-17-23(29)22-24/h13-14,16-20,22H,2-12,15,21H2,1H3
InChIKey KDLIGHUZRHHOAG-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H37FO4
Exact Mass 456.267588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKjpmRmhl15
Name Phthalic acid, 3-fluorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.267587830 u
Formula C28H37FO4
InChI InChI=1S/C28H37FO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-32-27(30)25-19-13-14-20-26(25)28(31)33-24-18-16-17-23(29)22-24/h13-14,16-20,22H,2-12,15,21H2,1H3
InChIKey KDLIGHUZRHHOAG-UHFFFAOYSA-N
Molecular Weight 456.598 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCC)=O)C(OC1=CC(=CC=C1)F)=O