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Isonipecotic acid, N-(3-methoxybenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-methoxybenzoyl)-, hexadecyl ester
SpectraBase Compound ID Jt9taP1o6td
InChI InChI=1S/C30H49NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-35-30(33)26-20-22-31(23-21-26)29(32)27-18-17-19-28(25-27)34-2/h17-19,25-26H,3-16,20-24H2,1-2H3
InChIKey HAHMJCHNVXVVMF-UHFFFAOYSA-N
Mol Weight 487.7 g/mol
Molecular Formula C30H49NO4
Exact Mass 487.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEupaw8Cqsl
Name Isonipecotic acid, N-(3-methoxybenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 487.366159058 u
Formula C30H49NO4
InChI InChI=1S/C30H49NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-35-30(33)26-20-22-31(23-21-26)29(32)27-18-17-19-28(25-27)34-2/h17-19,25-26H,3-16,20-24H2,1-2H3
InChIKey HAHMJCHNVXVVMF-UHFFFAOYSA-N
Molecular Weight 487.725 g/mol
SMILES COC1=CC=CC(=C1)C(N1CCC(C(OCCCCCCCCCCCCCCCC)=O)CC1)=O