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Sebacic acid, 2-fluorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-fluorophenyl nonyl ester
SpectraBase Compound ID 1M1Fxn6vekF
InChI InChI=1S/C25H39FO4/c1-2-3-4-5-8-11-16-21-29-24(27)19-12-9-6-7-10-13-20-25(28)30-23-18-15-14-17-22(23)26/h14-15,17-18H,2-13,16,19-21H2,1H3
InChIKey GAYPBFSTSHIDBI-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C25H39FO4
Exact Mass 422.283238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Shra5gAxb8
Name Sebacic acid, 2-fluorophenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.283237895 u
Formula C25H39FO4
InChI InChI=1S/C25H39FO4/c1-2-3-4-5-8-11-16-21-29-24(27)19-12-9-6-7-10-13-20-25(28)30-23-18-15-14-17-22(23)26/h14-15,17-18H,2-13,16,19-21H2,1H3
InChIKey GAYPBFSTSHIDBI-UHFFFAOYSA-N
Molecular Weight 422.581 g/mol
SMILES C(CCCCC(OC1=CC=CC=C1F)=O)CCCC(OCCCCCCCCC)=O