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Succinic acid, 2,5-difluorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,5-difluorobenzyl undecyl ester
SpectraBase Compound ID C9ZLyPTrCV0
InChI InChI=1S/C22H32F2O4/c1-2-3-4-5-6-7-8-9-10-15-27-21(25)13-14-22(26)28-17-18-16-19(23)11-12-20(18)24/h11-12,16H,2-10,13-15,17H2,1H3
InChIKey XSHMJGKWLBASMW-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C22H32F2O4
Exact Mass 398.226866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrPuKk458Nm
Name Succinic acid, 2,5-difluorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.226865832 u
Formula C22H32F2O4
InChI InChI=1S/C22H32F2O4/c1-2-3-4-5-6-7-8-9-10-15-27-21(25)13-14-22(26)28-17-18-16-19(23)11-12-20(18)24/h11-12,16H,2-10,13-15,17H2,1H3
InChIKey XSHMJGKWLBASMW-UHFFFAOYSA-N
Molecular Weight 398.491 g/mol
SMILES C(CCC(OCC=1C(F)=CC=C(F)C1)=O)(OCCCCCCCCCCC)=O