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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-methoxybenzoyl)-, pentadecyl ester
SpectraBase Compound ID 27zktUnmDs1
InChI InChI=1S/C29H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-34-29(32)25-20-22-30(23-21-25)28(31)26-18-15-16-19-27(26)33-2/h15-16,18-19,25H,3-14,17,20-24H2,1-2H3
InChIKey CHZKDBCQSZGBDZ-UHFFFAOYSA-N
Mol Weight 473.7 g/mol
Molecular Formula C29H47NO4
Exact Mass 473.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GTbyoEN90l
Name Isonipecotic acid, N-(2-methoxybenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 473.350508993 u
Formula C29H47NO4
InChI InChI=1S/C29H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-34-29(32)25-20-22-30(23-21-25)28(31)26-18-15-16-19-27(26)33-2/h15-16,18-19,25H,3-14,17,20-24H2,1-2H3
InChIKey CHZKDBCQSZGBDZ-UHFFFAOYSA-N
Molecular Weight 473.698 g/mol
SMILES COC1=C(C=CC=C1)C(N1CCC(C(OCCCCCCCCCCCCCCC)=O)CC1)=O