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Sebacic acid, dodecyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl pentafluorobenzyl ester
SpectraBase Compound ID 8rCYEt8PGpX
InChI InChI=1S/C29H43F5O4/c1-2-3-4-5-6-7-8-11-14-17-20-37-23(35)18-15-12-9-10-13-16-19-24(36)38-21-22-25(30)27(32)29(34)28(33)26(22)31/h2-21H2,1H3
InChIKey FQBRMHKCITWMBQ-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C29H43F5O4
Exact Mass 550.308151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BY6AIqeVhzc
Name Sebacic acid, dodecyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.308150676 u
Formula C29H43F5O4
InChI InChI=1S/C29H43F5O4/c1-2-3-4-5-6-7-8-11-14-17-20-37-23(35)18-15-12-9-10-13-16-19-24(36)38-21-22-25(30)27(32)29(34)28(33)26(22)31/h2-21H2,1H3
InChIKey FQBRMHKCITWMBQ-UHFFFAOYSA-N
Molecular Weight 550.651 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCCCCCCCCCCCC)=O