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

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Sebacic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID ua21ppwVJR
InChI InChI=1S/C32H54F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-43-27(41)23-20-17-14-15-18-21-24-28(42)44-26-30(35,36)32(39,40)31(37,38)29(33)34/h29H,2-26H2,1H3
InChIKey BTHBHPDGBJHCGZ-UHFFFAOYSA-N
Mol Weight 654.8 g/mol
Molecular Formula C32H54F8O4
Exact Mass 654.389436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIfn7XZrd17
Name Sebacic acid, heptadecyl 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 654.389435519 u
Formula C32H54F8O4
InChI InChI=1S/C32H54F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-43-27(41)23-20-17-14-15-18-21-24-28(42)44-26-30(35,36)32(39,40)31(37,38)29(33)34/h29H,2-26H2,1H3
InChIKey BTHBHPDGBJHCGZ-UHFFFAOYSA-N
Molecular Weight 654.767 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCCCCCCCCCCCCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F