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dl-Alanyl-dl-alanyl-dl-alanine, N,N',N''-trimethyl-N''-(but-4-en-1-yloxycarbonyl)-, but-4-en-1-yl ester
SpectraBase Compound ID 5LnEfCb27yf
InChI InChI=1S/C21H35N3O6/c1-9-11-13-29-20(27)17(5)23(7)18(25)15(3)22(6)19(26)16(4)24(8)21(28)30-14-12-10-2/h9-10,15-17H,1-2,11-14H2,3-8H3
InChIKey ADIVSBDOHQYNOA-UHFFFAOYSA-N
Mol Weight 425.5 g/mol
Molecular Formula C21H35N3O6
Exact Mass 425.252586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kf3FcMm4BTp
Name dl-Alanyl-dl-alanyl-dl-alanine, N,N',N''-trimethyl-N''-(but-4-en-1-yloxycarbonyl)-, but-4-en-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.252585853 u
Formula C21H35N3O6
InChI InChI=1S/C21H35N3O6/c1-9-11-13-29-20(27)17(5)23(7)18(25)15(3)22(6)19(26)16(4)24(8)21(28)30-14-12-10-2/h9-10,15-17H,1-2,11-14H2,3-8H3
InChIKey ADIVSBDOHQYNOA-UHFFFAOYSA-N
Molecular Weight 425.526 g/mol
SMILES C(C(N(C)C(C(N(C(C(N(C)C(OCCC=C)=O)C)=O)C)C)=O)C)(OCCC=C)=O