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Isonipecotic acid, N-(4-fluorobenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-fluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID 7tb8YtbULGV
InChI InChI=1S/C27H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-32-27(31)24-18-20-29(21-19-24)26(30)23-14-16-25(28)17-15-23/h14-17,24H,2-13,18-22H2,1H3
InChIKey HRMKKTQCBNUZFO-UHFFFAOYSA-N
Mol Weight 447.6 g/mol
Molecular Formula C27H42FNO3
Exact Mass 447.314872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID drltgVYuRe
Name Isonipecotic acid, N-(4-fluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.314872376 u
Formula C27H42FNO3
InChI InChI=1S/C27H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-32-27(31)24-18-20-29(21-19-24)26(30)23-14-16-25(28)17-15-23/h14-17,24H,2-13,18-22H2,1H3
InChIKey HRMKKTQCBNUZFO-UHFFFAOYSA-N
Molecular Weight 447.635 g/mol
SMILES CCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)F)CC1)=O