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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-fluorobenzoyl)-, tridecyl ester
SpectraBase Compound ID FZSW3CjlcLL
InChI InChI=1S/C26H40FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-21-31-26(30)23-17-19-28(20-18-23)25(29)22-13-15-24(27)16-14-22/h13-16,23H,2-12,17-21H2,1H3
InChIKey HGNMJFASGCOOFH-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H40FNO3
Exact Mass 433.299222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuJj04Qwv4I
Name Isonipecotic acid, N-(4-fluorobenzoyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.299222312 u
Formula C26H40FNO3
InChI InChI=1S/C26H40FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-21-31-26(30)23-17-19-28(20-18-23)25(29)22-13-15-24(27)16-14-22/h13-16,23H,2-12,17-21H2,1H3
InChIKey HGNMJFASGCOOFH-UHFFFAOYSA-N
Molecular Weight 433.608 g/mol
SMILES CCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)F)CC1)=O