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Sebacic acid, nonyl 4-trifluoromethoxybenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, nonyl 4-trifluoromethoxybenzyl ester
SpectraBase Compound ID 3n1upm0G43A
InChI InChI=1S/C27H41F3O5/c1-2-3-4-5-8-11-14-21-33-25(31)15-12-9-6-7-10-13-16-26(32)34-22-23-17-19-24(20-18-23)35-27(28,29)30/h17-20H,2-16,21-22H2,1H3
InChIKey DYFDHPBBGFKKHM-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C27H41F3O5
Exact Mass 502.290609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALZ1qhJPgnI
Name Sebacic acid, nonyl 4-trifluoromethoxybenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.290608904 u
Formula C27H41F3O5
InChI InChI=1S/C27H41F3O5/c1-2-3-4-5-8-11-14-21-33-25(31)15-12-9-6-7-10-13-16-26(32)34-22-23-17-19-24(20-18-23)35-27(28,29)30/h17-20H,2-16,21-22H2,1H3
InChIKey DYFDHPBBGFKKHM-UHFFFAOYSA-N
Molecular Weight 502.615 g/mol
SMILES C(CCCCCCCC(OCC1=CC=C(C=C1)OC(F)(F)F)=O)C(OCCCCCCCCC)=O