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Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarconyl-, propyl ester

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarconyl-, propyl ester
SpectraBase Compound ID 9BhXTw3f6r8
InChI InChI=1S/C19H31N3O6/c1-9-11-27-18(25)15(5)21(7)16(23)13(3)20(6)17(24)14(4)22(8)19(26)28-12-10-2/h2,13-15H,9,11-12H2,1,3-8H3
InChIKey SKWVREPIYSFMTN-UHFFFAOYSA-N
Mol Weight 397.47 g/mol
Molecular Formula C19H31N3O6
Exact Mass 397.221286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKJsaPhupRE
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-propargyloxycarconyl-, propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.221285724 u
Formula C19H31N3O6
InChI InChI=1S/C19H31N3O6/c1-9-11-27-18(25)15(5)21(7)16(23)13(3)20(6)17(24)14(4)22(8)19(26)28-12-10-2/h2,13-15H,9,11-12H2,1,3-8H3
InChIKey SKWVREPIYSFMTN-UHFFFAOYSA-N
Molecular Weight 397.472 g/mol
SMILES C#CCOC(N(C(C(N(C(C(N(C)C(C(OCCC)=O)C)=O)C)C)=O)C)C)=O