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Alanine, N-methyl-N-butoxycarbonyl-, heptadecyl ester

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

Alanine, N-methyl-N-butoxycarbonyl-, heptadecyl ester
SpectraBase Compound ID I5Ef2gsigk0
InChI InChI=1S/C26H51NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25(28)24(3)27(4)26(29)31-22-8-6-2/h24H,5-23H2,1-4H3
InChIKey YCMCPTLCRYEXKF-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8GPdKtuhJHL
Name Alanine, N-methyl-N-butoxycarbonyl-, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25(28)24(3)27(4)26(29)31-22-8-6-2/h24H,5-23H2,1-4H3
InChIKey YCMCPTLCRYEXKF-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CCCCOC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924988