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Adipic acid, monopiperidide, hexadecyl ester

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

Adipic acid, monopiperidide, hexadecyl ester
SpectraBase Compound ID ccrtsNKdxs
InChI InChI=1S/C27H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-31-27(30)22-17-16-21-26(29)28-23-18-15-19-24-28/h2-25H2,1H3
InChIKey GSWPUNNHJFMOLH-UHFFFAOYSA-N
Mol Weight 437.7 g/mol
Molecular Formula C27H51NO3
Exact Mass 437.386895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FXS7YjM0BjC
Name Adipic acid, monopiperidide, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.386894503 u
Formula C27H51NO3
InChI InChI=1S/C27H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-31-27(30)22-17-16-21-26(29)28-23-18-15-19-24-28/h2-25H2,1H3
InChIKey GSWPUNNHJFMOLH-UHFFFAOYSA-N
Molecular Weight 437.709 g/mol
SMILES C(OC(CCCCC(=O)N1CCCCC1)=O)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925362