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Isonipecotic acid, N-benzoyl-, dodecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-benzoyl-, dodecyl ester
SpectraBase Compound ID FeTwYQzD8kk
InChI InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-14-21-29-25(28)23-17-19-26(20-18-23)24(27)22-15-12-11-13-16-22/h11-13,15-16,23H,2-10,14,17-21H2,1H3
InChIKey ZMNLWEPWNKTICT-UHFFFAOYSA-N
Mol Weight 401.6 g/mol
Molecular Formula C25H39NO3
Exact Mass 401.292994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IQwp20RKLr9
Name Isonipecotic acid, N-benzoyl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.292994117 u
Formula C25H39NO3
InChI InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-14-21-29-25(28)23-17-19-26(20-18-23)24(27)22-15-12-11-13-16-22/h11-13,15-16,23H,2-10,14,17-21H2,1H3
InChIKey ZMNLWEPWNKTICT-UHFFFAOYSA-N
Molecular Weight 401.591 g/mol
SMILES CCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=CC=C2)CC1)=O