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Fumaric acid, 3,5-difluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3,5-difluorophenyl undecyl ester
SpectraBase Compound ID 2yIH7Y88vSL
InChI InChI=1S/C21H28F2O4/c1-2-3-4-5-6-7-8-9-10-13-26-20(24)11-12-21(25)27-19-15-17(22)14-18(23)16-19/h11-12,14-16H,2-10,13H2,1H3/b12-11+
InChIKey KSUBKNIEVWLIKW-VAWYXSNFSA-N
Mol Weight 382.45 g/mol
Molecular Formula C21H28F2O4
Exact Mass 382.195566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hRsPBG4pgI
Name Fumaric acid, 3,5-difluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.195565704 u
Formula C21H28F2O4
InChI InChI=1S/C21H28F2O4/c1-2-3-4-5-6-7-8-9-10-13-26-20(24)11-12-21(25)27-19-15-17(22)14-18(23)16-19/h11-12,14-16H,2-10,13H2,1H3/b12-11+
InChIKey KSUBKNIEVWLIKW-VAWYXSNFSA-N
Molecular Weight 382.448 g/mol
SMILES C(CCCOC(\C=C\C(OC1=CC(=CC(=C1)F)F)=O)=O)CCCCCCC