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Adipic acid, monopiperidide, tetradecyl ester

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Adipic acid, monopiperidide, tetradecyl ester
SpectraBase Compound ID JP5xFLnS7sw
InChI InChI=1S/C25H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29-25(28)20-15-14-19-24(27)26-21-16-13-17-22-26/h2-23H2,1H3
InChIKey CPRFWRRMCDYRKT-UHFFFAOYSA-N
Mol Weight 409.7 g/mol
Molecular Formula C25H47NO3
Exact Mass 409.355594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LyMJ1tdZ2nA
Name Adipic acid, monopiperidide, tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.355594374 u
Formula C25H47NO3
InChI InChI=1S/C25H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29-25(28)20-15-14-19-24(27)26-21-16-13-17-22-26/h2-23H2,1H3
InChIKey CPRFWRRMCDYRKT-UHFFFAOYSA-N
Molecular Weight 409.655 g/mol
SMILES C(=O)(CCCCC(OCCCCCCCCCCCCCC)=O)N1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851414