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Succinic acid, 4-fluorobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-fluorobenzyl hexadecyl ester
SpectraBase Compound ID Lx9EpM4nJNM
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-26(29)20-21-27(30)32-23-24-16-18-25(28)19-17-24/h16-19H,2-15,20-23H2,1H3
InChIKey IAGZYKMKSBJUJY-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C27H43FO4
Exact Mass 450.314538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XFjTBQUgRJ
Name Succinic acid, 4-fluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.314538024 u
Formula C27H43FO4
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-26(29)20-21-27(30)32-23-24-16-18-25(28)19-17-24/h16-19H,2-15,20-23H2,1H3
InChIKey IAGZYKMKSBJUJY-UHFFFAOYSA-N
Molecular Weight 450.635 g/mol
SMILES C(CCC(OCC1=CC=C(C=C1)F)=O)(OCCCCCCCCCCCCCCCC)=O