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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-methoxybenzoyl)-, dodecyl ester
SpectraBase Compound ID 7ytZ8m1s8Pg
InChI InChI=1S/C26H41NO4/c1-3-4-5-6-7-8-9-10-11-14-21-31-26(29)22-17-19-27(20-18-22)25(28)23-15-12-13-16-24(23)30-2/h12-13,15-16,22H,3-11,14,17-21H2,1-2H3
InChIKey WWOVFNHPUONTAI-UHFFFAOYSA-N
Mol Weight 431.6 g/mol
Molecular Formula C26H41NO4
Exact Mass 431.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gq0PK5B5yB
Name Isonipecotic acid, N-(2-methoxybenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.303558800 u
Formula C26H41NO4
InChI InChI=1S/C26H41NO4/c1-3-4-5-6-7-8-9-10-11-14-21-31-26(29)22-17-19-27(20-18-22)25(28)23-15-12-13-16-24(23)30-2/h12-13,15-16,22H,3-11,14,17-21H2,1-2H3
InChIKey WWOVFNHPUONTAI-UHFFFAOYSA-N
Molecular Weight 431.617 g/mol
SMILES COC1=C(C=CC=C1)C(N1CCC(C(OCCCCCCCCCCCC)=O)CC1)=O