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Glutaric acid, 1-(2-fluorophenyl)ethyl heptyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1-(2-fluorophenyl)ethyl heptyl ester
SpectraBase Compound ID 9orKRd5u2qq
InChI InChI=1S/C20H29FO4/c1-3-4-5-6-9-15-24-19(22)13-10-14-20(23)25-16(2)17-11-7-8-12-18(17)21/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3
InChIKey VKARRQWIMAQHPI-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H29FO4
Exact Mass 352.204988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGUn91ttmE0
Name Glutaric acid, 1-(2-fluorophenyl)ethyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.204987573 u
Formula C20H29FO4
InChI InChI=1S/C20H29FO4/c1-3-4-5-6-9-15-24-19(22)13-10-14-20(23)25-16(2)17-11-7-8-12-18(17)21/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3
InChIKey VKARRQWIMAQHPI-UHFFFAOYSA-N
Molecular Weight 352.446 g/mol
SMILES C(OC(C1=C(C=CC=C1)F)C)(=O)CCCC(OCCCCCCC)=O