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

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Sebacic acid, isobutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID ILIayi3WWem
InChI InChI=1S/C19H28F8O4/c1-13(2)11-30-14(28)9-7-5-3-4-6-8-10-15(29)31-12-17(22,23)19(26,27)18(24,25)16(20)21/h13,16H,3-12H2,1-2H3
InChIKey FCZXNMURSXVHFT-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 3Bdv83F2xs9
Name Sebacic acid, isobutyl 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 472.185984682 u
Formula C19H28F8O4
InChI InChI=1S/C19H28F8O4/c1-13(2)11-30-14(28)9-7-5-3-4-6-8-10-15(29)31-12-17(22,23)19(26,27)18(24,25)16(20)21/h13,16H,3-12H2,1-2H3
InChIKey FCZXNMURSXVHFT-UHFFFAOYSA-N
Molecular Weight 472.416 g/mol
SMILES C(CCCCC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)CCCC(OCC(C)C)=O