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Phthalic acid, 2-fluorobenzyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-fluorobenzyl dodecyl ester
SpectraBase Compound ID 4codXCFr5eL
InChI InChI=1S/C27H35FO4/c1-2-3-4-5-6-7-8-9-10-15-20-31-26(29)23-17-12-13-18-24(23)27(30)32-21-22-16-11-14-19-25(22)28/h11-14,16-19H,2-10,15,20-21H2,1H3
InChIKey UNJZXFDIVSGXRB-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H35FO4
Exact Mass 442.251938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kt0smXwlzH2
Name Phthalic acid, 2-fluorobenzyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.251937766 u
Formula C27H35FO4
InChI InChI=1S/C27H35FO4/c1-2-3-4-5-6-7-8-9-10-15-20-31-26(29)23-17-12-13-18-24(23)27(30)32-21-22-16-11-14-19-25(22)28/h11-14,16-19H,2-10,15,20-21H2,1H3
InChIKey UNJZXFDIVSGXRB-UHFFFAOYSA-N
Molecular Weight 442.571 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCCCCC)=O)C(OCC1=CC=CC=C1F)=O