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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-methoxybenzoyl)-, nonyl ester
SpectraBase Compound ID 2kE83uiFX4x
InChI InChI=1S/C23H35NO4/c1-3-4-5-6-7-8-9-17-28-23(26)19-13-15-24(16-14-19)22(25)20-11-10-12-21(18-20)27-2/h10-12,18-19H,3-9,13-17H2,1-2H3
InChIKey OHXOKFBVSNVMOZ-UHFFFAOYSA-N
Mol Weight 389.5 g/mol
Molecular Formula C23H35NO4
Exact Mass 389.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5tBBY0S5bUd
Name Isonipecotic acid, N-(3-methoxybenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.256608607 u
Formula C23H35NO4
InChI InChI=1S/C23H35NO4/c1-3-4-5-6-7-8-9-17-28-23(26)19-13-15-24(16-14-19)22(25)20-11-10-12-21(18-20)27-2/h10-12,18-19H,3-9,13-17H2,1-2H3
InChIKey OHXOKFBVSNVMOZ-UHFFFAOYSA-N
Molecular Weight 389.536 g/mol
SMILES COC1=CC=CC(=C1)C(N1CCC(C(OCCCCCCCCC)=O)CC1)=O