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Sebacic acid, di(4-trifluoromethoxybenzyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(4-trifluoromethoxybenzyl) ester
SpectraBase Compound ID L0i0Dy2KxAV
InChI InChI=1S/C26H28F6O6/c27-25(28,29)37-21-13-9-19(10-14-21)17-35-23(33)7-5-3-1-2-4-6-8-24(34)36-18-20-11-15-22(16-12-20)38-26(30,31)32/h9-16H,1-8,17-18H2
InChIKey JMHRXKACIBAHAX-UHFFFAOYSA-N
Mol Weight 550.49 g/mol
Molecular Formula C26H28F6O6
Exact Mass 550.179008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6McmtjTEPa
Name Sebacic acid, di(4-trifluoromethoxybenzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 550.179007594 u
Formula C26H28F6O6
InChI InChI=1S/C26H28F6O6/c27-25(28,29)37-21-13-9-19(10-14-21)17-35-23(33)7-5-3-1-2-4-6-8-24(34)36-18-20-11-15-22(16-12-20)38-26(30,31)32/h9-16H,1-8,17-18H2
InChIKey JMHRXKACIBAHAX-UHFFFAOYSA-N
Molecular Weight 550.494 g/mol
SMILES C(CCCCCCCC(OCC1=CC=C(C=C1)OC(F)(F)F)=O)C(OCC1=CC=C(OC(F)(F)F)C=C1)=O