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Isonipecotic acid, N-(2-furoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-furoyl)-, pentadecyl ester
SpectraBase Compound ID LCclANoqlvP
InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-31-26(29)23-17-19-27(20-18-23)25(28)24-16-15-22-30-24/h15-16,22-23H,2-14,17-21H2,1H3
InChIKey VXEWXIMOXAIWST-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10ExfMOKd1T
Name Isonipecotic acid, N-(2-furoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.319208865 u
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-31-26(29)23-17-19-27(20-18-23)25(28)24-16-15-22-30-24/h15-16,22-23H,2-14,17-21H2,1H3
InChIKey VXEWXIMOXAIWST-UHFFFAOYSA-N
Molecular Weight 433.633 g/mol
SMILES CCCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CO2)CC1)=O