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Sebacic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 8t1HarOlOPo
InChI InChI=1S/C24H38F8O4/c1-2-3-4-5-8-11-14-17-35-19(33)15-12-9-6-7-10-13-16-20(34)36-18-22(27,28)24(31,32)23(29,30)21(25)26/h21H,2-18H2,1H3
InChIKey PUTJQIJGTHRLTD-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C24H38F8O4
Exact Mass 542.264235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq55HcfHpRh
Name Sebacic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 542.264235004 u
Formula C24H38F8O4
InChI InChI=1S/C24H38F8O4/c1-2-3-4-5-8-11-14-17-35-19(33)15-12-9-6-7-10-13-16-20(34)36-18-22(27,28)24(31,32)23(29,30)21(25)26/h21H,2-18H2,1H3
InChIKey PUTJQIJGTHRLTD-UHFFFAOYSA-N
Molecular Weight 542.551 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCCCCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F