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Sebacic acid, 2-fluorophenyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-fluorophenyl octyl ester
SpectraBase Compound ID ErNU4xMij8F
InChI InChI=1S/C24H37FO4/c1-2-3-4-5-10-15-20-28-23(26)18-11-8-6-7-9-12-19-24(27)29-22-17-14-13-16-21(22)25/h13-14,16-17H,2-12,15,18-20H2,1H3
InChIKey QUCBTWKNRXVLLB-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 1fLwSA7pjaM
Name Sebacic acid, 2-fluorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.267587830 u
Formula C24H37FO4
InChI InChI=1S/C24H37FO4/c1-2-3-4-5-10-15-20-28-23(26)18-11-8-6-7-9-12-19-24(27)29-22-17-14-13-16-21(22)25/h13-14,16-17H,2-12,15,18-20H2,1H3
InChIKey QUCBTWKNRXVLLB-UHFFFAOYSA-N
Molecular Weight 408.554 g/mol
SMILES C(CCCCC(OC1=CC=CC=C1F)=O)CCCC(OCCCCCCCC)=O