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Isonipecotic acid, N-(3-fluorobenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-fluorobenzoyl)-, octyl ester
SpectraBase Compound ID AL17yLRz711
InChI InChI=1S/C21H30FNO3/c1-2-3-4-5-6-7-15-26-21(25)17-11-13-23(14-12-17)20(24)18-9-8-10-19(22)16-18/h8-10,16-17H,2-7,11-15H2,1H3
InChIKey QUBSLEGITFWMEI-UHFFFAOYSA-N
Mol Weight 363.47 g/mol
Molecular Formula C21H30FNO3
Exact Mass 363.220972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GK5NwAZYdUU
Name Isonipecotic acid, N-(3-fluorobenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.220971990 u
Formula C21H30FNO3
InChI InChI=1S/C21H30FNO3/c1-2-3-4-5-6-7-15-26-21(25)17-11-13-23(14-12-17)20(24)18-9-8-10-19(22)16-18/h8-10,16-17H,2-7,11-15H2,1H3
InChIKey QUBSLEGITFWMEI-UHFFFAOYSA-N
Molecular Weight 363.473 g/mol
SMILES CCCCCCCCOC(C1CCN(C(=O)C2=CC=CC(=C2)F)CC1)=O