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Sebacic acid, 2,5-difluorobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-difluorobenzyl nonyl ester
SpectraBase Compound ID ByaVJkOfzaV
InChI InChI=1S/C26H40F2O4/c1-2-3-4-5-8-11-14-19-31-25(29)15-12-9-6-7-10-13-16-26(30)32-21-22-20-23(27)17-18-24(22)28/h17-18,20H,2-16,19,21H2,1H3
InChIKey OTQYJVULCAAGRC-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C26H40F2O4
Exact Mass 454.289466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gMfYvHQAmW
Name Sebacic acid, 2,5-difluorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.289466090 u
Formula C26H40F2O4
InChI InChI=1S/C26H40F2O4/c1-2-3-4-5-8-11-14-19-31-25(29)15-12-9-6-7-10-13-16-26(30)32-21-22-20-23(27)17-18-24(22)28/h17-18,20H,2-16,19,21H2,1H3
InChIKey OTQYJVULCAAGRC-UHFFFAOYSA-N
Molecular Weight 454.599 g/mol
SMILES C(CCCCCCC(OCCCCCCCCC)=O)CC(OCC=1C(F)=CC=C(F)C1)=O