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Sebacic acid, isobutyl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, isobutyl pentafluorobenzyl ester
SpectraBase Compound ID 1V0azIZWN3Q
InChI InChI=1S/C21H27F5O4/c1-13(2)11-29-15(27)9-7-5-3-4-6-8-10-16(28)30-12-14-17(22)19(24)21(26)20(25)18(14)23/h13H,3-12H2,1-2H3
InChIKey RWZUTZCVIBYCCE-UHFFFAOYSA-N
Mol Weight 438.44 g/mol
Molecular Formula C21H27F5O4
Exact Mass 438.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A814odpSUgC
Name Sebacic acid, isobutyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.182950160 u
Formula C21H27F5O4
InChI InChI=1S/C21H27F5O4/c1-13(2)11-29-15(27)9-7-5-3-4-6-8-10-16(28)30-12-14-17(22)19(24)21(26)20(25)18(14)23/h13H,3-12H2,1-2H3
InChIKey RWZUTZCVIBYCCE-UHFFFAOYSA-N
Molecular Weight 438.435 g/mol
SMILES C(CCCCCCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)C(OCC(C)C)=O