For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, hexyl ester

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, hexyl ester
SpectraBase Compound ID 3yElxJzwxV6
InChI InChI=1S/C21H39N3O6/c1-9-11-12-13-14-30-20(27)17(5)23(7)18(25)15(3)22(6)19(26)16(4)24(8)21(28)29-10-2/h15-17H,9-14H2,1-8H3
InChIKey XBUSACSTEMXRIT-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C21H39N3O6
Exact Mass 429.283886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ABupmSYs3q8
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.283885982 u
Formula C21H39N3O6
InChI InChI=1S/C21H39N3O6/c1-9-11-12-13-14-30-20(27)17(5)23(7)18(25)15(3)22(6)19(26)16(4)24(8)21(28)29-10-2/h15-17H,9-14H2,1-8H3
InChIKey XBUSACSTEMXRIT-UHFFFAOYSA-N
Molecular Weight 429.558 g/mol
SMILES CCOC(N(C(C)C(N(C)C(C(N(C(C)C(OCCCCCC)=O)C)=O)C)=O)C)=O