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Sebacic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester
SpectraBase Compound ID 512AGTHkvk7
InChI InChI=1S/C20H22F16O4/c21-13(22)17(29,30)19(33,34)15(25,26)9-39-11(37)7-5-3-1-2-4-6-8-12(38)40-10-16(27,28)20(35,36)18(31,32)14(23)24/h13-14H,1-10H2
InChIKey SDVCVWKENPHZSW-UHFFFAOYSA-N
Mol Weight 630.37 g/mol
Molecular Formula C20H22F16O4
Exact Mass 630.12626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dgoatk5cLs6
Name Sebacic acid, di(2,2,3,3,4,4,5,5-octafluoropentyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 630.126259792 u
Formula C20H22F16O4
InChI InChI=1S/C20H22F16O4/c21-13(22)17(29,30)19(33,34)15(25,26)9-39-11(37)7-5-3-1-2-4-6-8-12(38)40-10-16(27,28)20(35,36)18(31,32)14(23)24/h13-14H,1-10H2
InChIKey SDVCVWKENPHZSW-UHFFFAOYSA-N
Molecular Weight 630.366 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(F)F)(C(C(F)F)(F)F)(F)F