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Succinic acid, 3-fluorobenzyl tridecyl ester
SpectraBase Compound ID KMCuUHjQkjd
InChI InChI=1S/C24H37FO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-28-23(26)16-17-24(27)29-20-21-14-13-15-22(25)19-21/h13-15,19H,2-12,16-18,20H2,1H3
InChIKey QMOREQLTVZJNKE-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 L0OqpNVQkZg
Name Succinic acid, 3-fluorobenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.267587830 u
Formula C24H37FO4
InChI InChI=1S/C24H37FO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-28-23(26)16-17-24(27)29-20-21-14-13-15-22(25)19-21/h13-15,19H,2-12,16-18,20H2,1H3
InChIKey QMOREQLTVZJNKE-UHFFFAOYSA-N
Molecular Weight 408.554 g/mol
SMILES C(CCC(OCC=1C=C(C=CC1)F)=O)(OCCCCCCCCCCCCC)=O