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Sebacic acid, 1-(4-fluorophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 1-(4-fluorophenyl)ethyl pentyl ester
SpectraBase Compound ID ASacUCorx7I
InChI InChI=1S/C23H35FO4/c1-3-4-11-18-27-22(25)12-9-7-5-6-8-10-13-23(26)28-19(2)20-14-16-21(24)17-15-20/h14-17,19H,3-13,18H2,1-2H3
InChIKey SGKHOWHITQVVOT-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 74xa2s9NaL0
Name Sebacic acid, 1-(4-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/c1-3-4-11-18-27-22(25)12-9-7-5-6-8-10-13-23(26)28-19(2)20-14-16-21(24)17-15-20/h14-17,19H,3-13,18H2,1-2H3
InChIKey SGKHOWHITQVVOT-UHFFFAOYSA-N
Molecular Weight 394.527 g/mol
SMILES C(CCCCCCC(OCCCCC)=O)CC(OC(C=1C=CC(=CC1)F)C)=O