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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-fluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID 1pyEjhauYfw
InChI InChI=1S/C30H48FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-35-30(34)27-21-23-32(24-22-27)29(33)26-17-19-28(31)20-18-26/h17-20,27H,2-16,21-25H2,1H3
InChIKey NKVZJORGVBVVFH-UHFFFAOYSA-N
Mol Weight 489.7 g/mol
Molecular Formula C30H48FNO3
Exact Mass 489.361823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AklcU4tYMfv
Name Isonipecotic acid, N-(4-fluorobenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 489.361822570 u
Formula C30H48FNO3
InChI InChI=1S/C30H48FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-35-30(34)27-21-23-32(24-22-27)29(33)26-17-19-28(31)20-18-26/h17-20,27H,2-16,21-25H2,1H3
InChIKey NKVZJORGVBVVFH-UHFFFAOYSA-N
Molecular Weight 489.716 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)F)CC1)=O