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Sebacic acid, 2,3,6-trifluorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3,6-trifluorobenzyl undecyl ester
SpectraBase Compound ID DDgy3nwLgrY
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-10-13-16-21-34-26(32)17-14-11-8-9-12-15-18-27(33)35-22-23-24(29)19-20-25(30)28(23)31/h19-20H,2-18,21-22H2,1H3
InChIKey JIIFDPCHIRVWJG-UHFFFAOYSA-N
Mol Weight 500.6 g/mol
Molecular Formula C28H43F3O4
Exact Mass 500.311344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjkelKbjcj8
Name Sebacic acid, 2,3,6-trifluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.311344350 u
Formula C28H43F3O4
InChI InChI=1S/C28H43F3O4/c1-2-3-4-5-6-7-10-13-16-21-34-26(32)17-14-11-8-9-12-15-18-27(33)35-22-23-24(29)19-20-25(30)28(23)31/h19-20H,2-18,21-22H2,1H3
InChIKey JIIFDPCHIRVWJG-UHFFFAOYSA-N
Molecular Weight 500.643 g/mol
SMILES C(CCCCCCC(OCCCCCCCCCCC)=O)CC(OCC1=C(C(=CC=C1F)F)F)=O