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L-Alanine, N-octanoyl-, pentadecyl ester

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

L-Alanine, N-octanoyl-, pentadecyl ester
SpectraBase Compound ID 2w4ufAEt9HE
InChI InChI=1S/C26H51NO3/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-23-30-26(29)24(3)27-25(28)22-20-18-9-7-5-2/h24H,4-23H2,1-3H3,(H,27,28)
InChIKey MVUJDNCVKNTTGN-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 F7U7ExStKh6
Name L-Alanine, N-octanoyl-, 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/c1-4-6-8-10-11-12-13-14-15-16-17-19-21-23-30-26(29)24(3)27-25(28)22-20-18-9-7-5-2/h24H,4-23H2,1-3H3,(H,27,28)
InChIKey MVUJDNCVKNTTGN-UHFFFAOYSA-N
Molecular Weight 425.698 g/mol
SMILES CCCCCCCC(NC(C(OCCCCCCCCCCCCCCC)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946121