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Glutaric acid, 4-fluorobenzyl hexadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 4-fluorobenzyl hexadecyl ester
SpectraBase Compound ID 5Li8jho4PCY
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-32-27(30)17-16-18-28(31)33-24-25-19-21-26(29)22-20-25/h19-22H,2-18,23-24H2,1H3
InChIKey QRHVXGMGUKZGIN-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H45FO4
Exact Mass 464.330188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TZsVn9AzFc
Name Glutaric acid, 4-fluorobenzyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.330188088 u
Formula C28H45FO4
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-32-27(30)17-16-18-28(31)33-24-25-19-21-26(29)22-20-25/h19-22H,2-18,23-24H2,1H3
InChIKey QRHVXGMGUKZGIN-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES C(OCC1=CC=C(C=C1)F)(=O)CCCC(OCCCCCCCCCCCCCCCC)=O