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Adipic acid, monopiperidide, pentadecyl ester

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Adipic acid, monopiperidide, pentadecyl ester
SpectraBase Compound ID aZG2UctmQf
InChI InChI=1S/C26H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-30-26(29)21-16-15-20-25(28)27-22-17-14-18-23-27/h2-24H2,1H3
InChIKey XAWNJARVWQNZHV-UHFFFAOYSA-N
Mol Weight 423.7 g/mol
Molecular Formula C26H49NO3
Exact Mass 423.371244 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EFJ1fqaV2St
Name Adipic acid, monopiperidide, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.371244439 u
Formula C26H49NO3
InChI InChI=1S/C26H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-30-26(29)21-16-15-20-25(28)27-22-17-14-18-23-27/h2-24H2,1H3
InChIKey XAWNJARVWQNZHV-UHFFFAOYSA-N
Molecular Weight 423.682 g/mol
SMILES CCCCCCCCCCCCCCCOC(CCCCC(=O)N1CCCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863224