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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-fluorobenzoyl)-, decyl ester
SpectraBase Compound ID 7TNt19sJmZ
InChI InChI=1S/C23H34FNO3/c1-2-3-4-5-6-7-8-9-17-28-23(27)19-13-15-25(16-14-19)22(26)20-11-10-12-21(24)18-20/h10-12,18-19H,2-9,13-17H2,1H3
InChIKey SULVIZQDLDRWBK-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C23H34FNO3
Exact Mass 391.252272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83N3i2xB1pc
Name Isonipecotic acid, N-(3-fluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.252272119 u
Formula C23H34FNO3
InChI InChI=1S/C23H34FNO3/c1-2-3-4-5-6-7-8-9-17-28-23(27)19-13-15-25(16-14-19)22(26)20-11-10-12-21(24)18-20/h10-12,18-19H,2-9,13-17H2,1H3
InChIKey SULVIZQDLDRWBK-UHFFFAOYSA-N
Molecular Weight 391.527 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CC(=C2)F)CC1)=O