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Isonipecotic acid, N-(3-methylbenzoyl)-, octyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-methylbenzoyl)-, octyl ester
SpectraBase Compound ID 3EedKxEGtiQ
InChI InChI=1S/C22H33NO3/c1-3-4-5-6-7-8-16-26-22(25)19-12-14-23(15-13-19)21(24)20-11-9-10-18(2)17-20/h9-11,17,19H,3-8,12-16H2,1-2H3
InChIKey RXUWFTGLIWMQAE-UHFFFAOYSA-N
Mol Weight 359.5 g/mol
Molecular Formula C22H33NO3
Exact Mass 359.246044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLMRK6Axd3Y
Name Isonipecotic acid, N-(3-methylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.246043924 u
Formula C22H33NO3
InChI InChI=1S/C22H33NO3/c1-3-4-5-6-7-8-16-26-22(25)19-12-14-23(15-13-19)21(24)20-11-9-10-18(2)17-20/h9-11,17,19H,3-8,12-16H2,1-2H3
InChIKey RXUWFTGLIWMQAE-UHFFFAOYSA-N
Molecular Weight 359.510 g/mol
SMILES CCCCCCCCOC(C1CCN(C(=O)C2=CC(=CC=C2)C)CC1)=O