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.beta.-Alanine, N-capryloyl-, pentadecyl ester

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

.beta.-Alanine, N-capryloyl-, pentadecyl ester
SpectraBase Compound ID 3ZcGdYoOfKf
InChI InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-24-30-26(29)22-23-27-25(28)21-19-17-8-6-4-2/h3-24H2,1-2H3,(H,27,28)
InChIKey VETVELPFRBGAHZ-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C26H51NO3
Exact Mass 425.386895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3HcK0osJNiF
Name .beta.-Alanine, N-capryloyl-, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.386894503 u
Formula C26H51NO3
InChI InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-24-30-26(29)22-23-27-25(28)21-19-17-8-6-4-2/h3-24H2,1-2H3,(H,27,28)
InChIKey VETVELPFRBGAHZ-UHFFFAOYSA-N
Molecular Weight 425.698 g/mol
SMILES CCCCCCCC(NCCC(OCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922186