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

View entire compound with spectra: 1 NMR

Sebacic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID Gg5eChZLVVR
InChI InChI=1S/C19H28F8O4/c1-2-3-12-30-14(28)10-8-6-4-5-7-9-11-15(29)31-13-17(22,23)19(26,27)18(24,25)16(20)21/h16H,2-13H2,1H3
InChIKey JMPAAKLQJWIQEO-UHFFFAOYSA-N
Mol Weight 472.42 g/mol
Molecular Formula C19H28F8O4
Exact Mass 472.185985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eCvyuqmR00
Name Sebacic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.185984682 u
Formula C19H28F8O4
InChI InChI=1S/C19H28F8O4/c1-2-3-12-30-14(28)10-8-6-4-5-7-9-11-15(29)31-13-17(22,23)19(26,27)18(24,25)16(20)21/h16H,2-13H2,1H3
InChIKey JMPAAKLQJWIQEO-UHFFFAOYSA-N
Molecular Weight 472.416 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F