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Glutaric acid, tridec-2-yn-1-yl 4-fluoro-2-methoxyphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 4-fluoro-2-methoxyphenyl ester
SpectraBase Compound ID CjoABmVIBzH
InChI InChI=1S/C25H35FO5/c1-3-4-5-6-7-8-9-10-11-12-13-19-30-24(27)15-14-16-25(28)31-22-18-17-21(26)20-23(22)29-2/h17-18,20H,3-11,14-16,19H2,1-2H3
InChIKey ZCDKEKMPILSXKY-UHFFFAOYSA-N
Mol Weight 434.5 g/mol
Molecular Formula C25H35FO5
Exact Mass 434.246852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ulFzi4bHzg
Name Glutaric acid, tridec-2-yn-1-yl 4-fluoro-2-methoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.246852385 u
Formula C25H35FO5
InChI InChI=1S/C25H35FO5/c1-3-4-5-6-7-8-9-10-11-12-13-19-30-24(27)15-14-16-25(28)31-22-18-17-21(26)20-23(22)29-2/h17-18,20H,3-11,14-16,19H2,1-2H3
InChIKey ZCDKEKMPILSXKY-UHFFFAOYSA-N
Molecular Weight 434.548 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC1=C(OC)C=C(C=C1)F)=O