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Succinic acid, 2,5-difluorobenzyl pentadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,5-difluorobenzyl pentadecyl ester
SpectraBase Compound ID HKmK9Gi0aPG
InChI InChI=1S/C26H40F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-31-25(29)17-18-26(30)32-21-22-20-23(27)15-16-24(22)28/h15-16,20H,2-14,17-19,21H2,1H3
InChIKey JGYWGMGDUVJFCT-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C26H40F2O4
Exact Mass 454.289466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FBXNiKdjihO
Name Succinic acid, 2,5-difluorobenzyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.289466090 u
Formula C26H40F2O4
InChI InChI=1S/C26H40F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-31-25(29)17-18-26(30)32-21-22-20-23(27)15-16-24(22)28/h15-16,20H,2-14,17-19,21H2,1H3
InChIKey JGYWGMGDUVJFCT-UHFFFAOYSA-N
Molecular Weight 454.599 g/mol
SMILES C(CCC(OCC=1C(F)=CC=C(F)C1)=O)(OCCCCCCCCCCCCCCC)=O