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Sebacic acid, 2-(2-fluorophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-(2-fluorophenyl)ethyl pentyl ester
SpectraBase Compound ID JR6KGeGH2xv
InChI InChI=1S/C23H35FO4/c1-2-3-12-18-27-22(25)15-8-6-4-5-7-9-16-23(26)28-19-17-20-13-10-11-14-21(20)24/h10-11,13-14H,2-9,12,15-19H2,1H3
InChIKey KJQAVTXPVMXSNP-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C23H35FO4
Exact Mass 394.251938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GAk3vjmiIUz
Name Sebacic acid, 2-(2-fluorophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.251937766 u
Formula C23H35FO4
InChI InChI=1S/C23H35FO4/c1-2-3-12-18-27-22(25)15-8-6-4-5-7-9-16-23(26)28-19-17-20-13-10-11-14-21(20)24/h10-11,13-14H,2-9,12,15-19H2,1H3
InChIKey KJQAVTXPVMXSNP-UHFFFAOYSA-N
Molecular Weight 394.527 g/mol
SMILES C(CCCCCCC(OCCCCC)=O)CC(OCCC1=C(C=CC=C1)F)=O