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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-methoxybenzoyl)-, hexyl ester
SpectraBase Compound ID C3f7JVWIQH1
InChI InChI=1S/C20H29NO4/c1-3-4-5-8-15-25-20(23)16-11-13-21(14-12-16)19(22)17-9-6-7-10-18(17)24-2/h6-7,9-10,16H,3-5,8,11-15H2,1-2H3
InChIKey ZXDZWBBICBYWFO-UHFFFAOYSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZTHUBmcpD0
Name Isonipecotic acid, N-(2-methoxybenzoyl)-, hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-3-4-5-8-15-25-20(23)16-11-13-21(14-12-16)19(22)17-9-6-7-10-18(17)24-2/h6-7,9-10,16H,3-5,8,11-15H2,1-2H3
InChIKey ZXDZWBBICBYWFO-UHFFFAOYSA-N
Molecular Weight 347.455 g/mol
SMILES COC1=C(C=CC=C1)C(N1CCC(C(OCCCCCC)=O)CC1)=O