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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-methylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID B9eGXQu8Kso
InChI InChI=1S/C28H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-32-28(31)26-19-21-29(22-20-26)27(30)25-17-15-24(2)16-18-25/h15-18,26H,3-14,19-23H2,1-2H3
InChIKey YOHIXFBTJVFVKG-UHFFFAOYSA-N
Mol Weight 443.7 g/mol
Molecular Formula C28H45NO3
Exact Mass 443.339944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DnJIvhJ5Ze
Name Isonipecotic acid, N-(4-methylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 443.339944310 u
Formula C28H45NO3
InChI InChI=1S/C28H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-32-28(31)26-19-21-29(22-20-26)27(30)25-17-15-24(2)16-18-25/h15-18,26H,3-14,19-23H2,1-2H3
InChIKey YOHIXFBTJVFVKG-UHFFFAOYSA-N
Molecular Weight 443.672 g/mol
SMILES CCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)C)CC1)=O