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

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Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester
SpectraBase Compound ID KicXKF0VpuH
InChI InChI=1S/C30H50F8O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-41-25(39)21-18-15-12-13-16-19-22-26(40)42-24-28(33,34)30(37,38)29(35,36)27(31)32/h27H,2-24H2,1H3
InChIKey UJWGLBYDPPCTOY-UHFFFAOYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C30H50F8O4
Exact Mass 626.358135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4IRTvHkgyP
Name Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.358135390 u
Formula C30H50F8O4
InChI InChI=1S/C30H50F8O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-41-25(39)21-18-15-12-13-16-19-22-26(40)42-24-28(33,34)30(37,38)29(35,36)27(31)32/h27H,2-24H2,1H3
InChIKey UJWGLBYDPPCTOY-UHFFFAOYSA-N
Molecular Weight 626.713 g/mol
SMILES C(C(COC(=O)CCCCCCCCC(OCCCCCCCCCCCCCCC)=O)(F)F)(C(C(F)F)(F)F)(F)F