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Sebacic acid, heptyl pentafluorobenzyl ester
SpectraBase Compound ID 1iA4L9ZELJt
InChI InChI=1S/C24H33F5O4/c1-2-3-4-9-12-15-32-18(30)13-10-7-5-6-8-11-14-19(31)33-16-17-20(25)22(27)24(29)23(28)21(17)26/h2-16H2,1H3
InChIKey LAIWYMFLGYQFJR-UHFFFAOYSA-N
Mol Weight 480.5 g/mol
Molecular Formula C24H33F5O4
Exact Mass 480.2299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A508yDnLXS5
Name Sebacic acid, heptyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.229900354 u
Formula C24H33F5O4
InChI InChI=1S/C24H33F5O4/c1-2-3-4-9-12-15-32-18(30)13-10-7-5-6-8-11-14-19(31)33-16-17-20(25)22(27)24(29)23(28)21(17)26/h2-16H2,1H3
InChIKey LAIWYMFLGYQFJR-UHFFFAOYSA-N
Molecular Weight 480.516 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCCCCCC)=O