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Sebacic acid, 3,5-difluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3,5-difluorophenyl undecyl ester
SpectraBase Compound ID IaG15Gmo630
InChI InChI=1S/C27H42F2O4/c1-2-3-4-5-6-7-10-13-16-19-32-26(30)17-14-11-8-9-12-15-18-27(31)33-25-21-23(28)20-24(29)22-25/h20-22H,2-19H2,1H3
InChIKey JCRWRTJCORKIAL-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C27H42F2O4
Exact Mass 468.305116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiHOKdUYiKg
Name Sebacic acid, 3,5-difluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.305116154 u
Formula C27H42F2O4
InChI InChI=1S/C27H42F2O4/c1-2-3-4-5-6-7-10-13-16-19-32-26(30)17-14-11-8-9-12-15-18-27(31)33-25-21-23(28)20-24(29)22-25/h20-22H,2-19H2,1H3
InChIKey JCRWRTJCORKIAL-UHFFFAOYSA-N
Molecular Weight 468.626 g/mol
SMILES C(CCCCCCC(OC1=CC(=CC(=C1)F)F)=O)CC(OCCCCCCCCCCC)=O