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

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

Isonipecotic acid, N-(cyclohexylcarbonyl)-, hexyl ester
SpectraBase Compound ID 9IDiWIy4f6Q
InChI InChI=1S/C19H33NO3/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h16-17H,2-15H2,1H3
InChIKey IWUYCLZCLHOASQ-UHFFFAOYSA-N
Mol Weight 323.5 g/mol
Molecular Formula C19H33NO3
Exact Mass 323.246044 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1BVQl4qb0HS
Name Isonipecotic acid, N-(cyclohexylcarbonyl)-, hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.246043924 u
Formula C19H33NO3
InChI InChI=1S/C19H33NO3/c1-2-3-4-8-15-23-19(22)17-11-13-20(14-12-17)18(21)16-9-6-5-7-10-16/h16-17H,2-15H2,1H3
InChIKey IWUYCLZCLHOASQ-UHFFFAOYSA-N
Molecular Weight 323.477 g/mol
SMILES CCCCCCOC(C1CCN(C(=O)C2CCCCC2)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894155