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Isonipecotic acid, N-(2-methoxybenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-methoxybenzoyl)-, tetradecyl ester
SpectraBase Compound ID 4HOtGxsxanE
InChI InChI=1S/C28H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33-28(31)24-19-21-29(22-20-24)27(30)25-17-14-15-18-26(25)32-2/h14-15,17-18,24H,3-13,16,19-23H2,1-2H3
InChIKey UDBPHSKUIZFDED-UHFFFAOYSA-N
Mol Weight 459.7 g/mol
Molecular Formula C28H45NO4
Exact Mass 459.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mvVeV84Gfn
Name Isonipecotic acid, N-(2-methoxybenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.334858929 u
Formula C28H45NO4
InChI InChI=1S/C28H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33-28(31)24-19-21-29(22-20-24)27(30)25-17-14-15-18-26(25)32-2/h14-15,17-18,24H,3-13,16,19-23H2,1-2H3
InChIKey UDBPHSKUIZFDED-UHFFFAOYSA-N
Molecular Weight 459.671 g/mol
SMILES COC1=C(C=CC=C1)C(N1CCC(C(OCCCCCCCCCCCCCC)=O)CC1)=O