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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-fluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID F9WxrpJeppC
InChI InChI=1S/C29H46FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-34-29(33)25-19-21-31(22-20-25)28(32)26-17-16-18-27(30)24-26/h16-18,24-25H,2-15,19-23H2,1H3
InChIKey VBRDJEJSBZRQFC-UHFFFAOYSA-N
Mol Weight 475.7 g/mol
Molecular Formula C29H46FNO3
Exact Mass 475.346173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjBjBNWHOa8
Name Isonipecotic acid, N-(3-fluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 475.346172505 u
Formula C29H46FNO3
InChI InChI=1S/C29H46FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-34-29(33)25-19-21-31(22-20-25)28(32)26-17-16-18-27(30)24-26/h16-18,24-25H,2-15,19-23H2,1H3
InChIKey VBRDJEJSBZRQFC-UHFFFAOYSA-N
Molecular Weight 475.689 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CC(=C2)F)CC1)=O