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Isonipecotic acid, N-(cyclohexylcarbonyl)-, butyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Isonipecotic acid, N-(cyclohexylcarbonyl)-, butyl ester
SpectraBase Compound ID H1b9ZVtK0OJ
InChI InChI=1S/C17H29NO3/c1-2-3-13-21-17(20)15-9-11-18(12-10-15)16(19)14-7-5-4-6-8-14/h14-15H,2-13H2,1H3
InChIKey ATNVQFKIYIGLEU-UHFFFAOYSA-N
Mol Weight 295.42 g/mol
Molecular Formula C17H29NO3
Exact Mass 295.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7b8A0pRnI62
Name Isonipecotic acid, N-(cyclohexylcarbonyl)-, butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.214743795 u
Formula C17H29NO3
InChI InChI=1S/C17H29NO3/c1-2-3-13-21-17(20)15-9-11-18(12-10-15)16(19)14-7-5-4-6-8-14/h14-15H,2-13H2,1H3
InChIKey ATNVQFKIYIGLEU-UHFFFAOYSA-N
SMILES CCCCOC(C1CCN(C(=O)C2CCCCC2)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818429