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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-methoxybenzoyl)-, undecyl ester
SpectraBase Compound ID CVLZeR5sTsy
InChI InChI=1S/C25H39NO4/c1-3-4-5-6-7-8-9-10-13-20-30-25(28)21-16-18-26(19-17-21)24(27)22-14-11-12-15-23(22)29-2/h11-12,14-15,21H,3-10,13,16-20H2,1-2H3
InChIKey RQNDGABNLULXPS-UHFFFAOYSA-N
Mol Weight 417.6 g/mol
Molecular Formula C25H39NO4
Exact Mass 417.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeCjCrzaB2d
Name Isonipecotic acid, N-(2-methoxybenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.287908736 u
Formula C25H39NO4
InChI InChI=1S/C25H39NO4/c1-3-4-5-6-7-8-9-10-13-20-30-25(28)21-16-18-26(19-17-21)24(27)22-14-11-12-15-23(22)29-2/h11-12,14-15,21H,3-10,13,16-20H2,1-2H3
InChIKey RQNDGABNLULXPS-UHFFFAOYSA-N
Molecular Weight 417.590 g/mol
SMILES COC1=C(C=CC=C1)C(N1CCC(C(OCCCCCCCCCCC)=O)CC1)=O