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Glutaric acid, dodecyl 4-fluorobenzyl ester
SpectraBase Compound ID 5kyqPE5TxnW
InChI InChI=1S/C24H37FO4/c1-2-3-4-5-6-7-8-9-10-11-19-28-23(26)13-12-14-24(27)29-20-21-15-17-22(25)18-16-21/h15-18H,2-14,19-20H2,1H3
InChIKey YRFRLMGZWNGPAJ-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H37FO4
Exact Mass 408.267588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNwqVv8wlps
Name Glutaric acid, dodecyl 4-fluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.267587830 u
Formula C24H37FO4
InChI InChI=1S/C24H37FO4/c1-2-3-4-5-6-7-8-9-10-11-19-28-23(26)13-12-14-24(27)29-20-21-15-17-22(25)18-16-21/h15-18H,2-14,19-20H2,1H3
InChIKey YRFRLMGZWNGPAJ-UHFFFAOYSA-N
Molecular Weight 408.554 g/mol
SMILES C(OCC1=CC=C(C=C1)F)(=O)CCCC(OCCCCCCCCCCCC)=O