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Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-fluorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-fluorophenyl ester
SpectraBase Compound ID G62LsOoUJNi
InChI InChI=1S/C23H31FO4/c1-2-9-19(17-16-18-10-4-3-5-11-18)27-22(25)14-8-15-23(26)28-21-13-7-6-12-20(21)24/h4,6-7,10,12-13,18-19H,2-3,5,8-9,11,14-17H2,1H3
InChIKey PLMXGJLCTDGFSQ-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H31FO4
Exact Mass 390.220638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpDOikW8rZW
Name Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2-fluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.220637637 u
Formula C23H31FO4
InChI InChI=1S/C23H31FO4/c1-2-9-19(17-16-18-10-4-3-5-11-18)27-22(25)14-8-15-23(26)28-21-13-7-6-12-20(21)24/h4,6-7,10,12-13,18-19H,2-3,5,8-9,11,14-17H2,1H3
InChIKey PLMXGJLCTDGFSQ-UHFFFAOYSA-N
Molecular Weight 390.495 g/mol
SMILES C(CCC(OC1=CC=CC=C1F)=O)C(OC(CCC)CCC1C=CCCC1)=O