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Isonipecotic acid, N-(3-cyclopentylpropionyl)-, tetradecyl ester

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

Isonipecotic acid, N-(3-cyclopentylpropionyl)-, tetradecyl ester
SpectraBase Compound ID HPFx3cx5Ebg
InChI InChI=1S/C28H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-32-28(31)26-20-22-29(23-21-26)27(30)19-18-25-16-13-14-17-25/h25-26H,2-24H2,1H3
InChIKey PFOOOJGBXJNMOV-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C28H51NO3
Exact Mass 449.386895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FTCXv9WJWIi
Name Isonipecotic acid, N-(3-cyclopentylpropionyl)-, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.386894503 u
Formula C28H51NO3
InChI InChI=1S/C28H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-32-28(31)26-20-22-29(23-21-26)27(30)19-18-25-16-13-14-17-25/h25-26H,2-24H2,1H3
InChIKey PFOOOJGBXJNMOV-UHFFFAOYSA-N
Molecular Weight 449.720 g/mol
SMILES CCCCCCCCCCCCCCOC(C1CCN(C(=O)CCC2CCCC2)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91311