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Phthalic acid, 3-fluorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-fluorobenzyl heptyl ester
SpectraBase Compound ID CLC5uH7MmdM
InChI InChI=1S/C22H25FO4/c1-2-3-4-5-8-14-26-21(24)19-12-6-7-13-20(19)22(25)27-16-17-10-9-11-18(23)15-17/h6-7,9-13,15H,2-5,8,14,16H2,1H3
InChIKey YWLNDBHUGVPYLH-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C22H25FO4
Exact Mass 372.173687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GODmWCSzqdz
Name Phthalic acid, 3-fluorobenzyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.173687444 u
Formula C22H25FO4
InChI InChI=1S/C22H25FO4/c1-2-3-4-5-8-14-26-21(24)19-12-6-7-13-20(19)22(25)27-16-17-10-9-11-18(23)15-17/h6-7,9-13,15H,2-5,8,14,16H2,1H3
InChIKey YWLNDBHUGVPYLH-UHFFFAOYSA-N
Molecular Weight 372.436 g/mol
SMILES C(C1=CC=CC=C1C(OCC1=CC=CC(=C1)F)=O)(OCCCCCCC)=O