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

View entire compound with spectra: 1 NMR

Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, butyl ester
SpectraBase Compound ID KFdzK0DymBN
InChI InChI=1S/C19H35N3O6/c1-9-11-12-28-18(25)15(5)21(7)16(23)13(3)20(6)17(24)14(4)22(8)19(26)27-10-2/h13-15H,9-12H2,1-8H3
InChIKey LAVBVHAYBSOCJI-UHFFFAOYSA-N
Mol Weight 401.5 g/mol
Molecular Formula C19H35N3O6
Exact Mass 401.252586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LjmQfu5J79
Name Alanylalanylalanine, N,N',N''-trimethyl-N''-ethoxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 401.252585853 u
Formula C19H35N3O6
InChI InChI=1S/C19H35N3O6/c1-9-11-12-28-18(25)15(5)21(7)16(23)13(3)20(6)17(24)14(4)22(8)19(26)27-10-2/h13-15H,9-12H2,1-8H3
InChIKey LAVBVHAYBSOCJI-UHFFFAOYSA-N
Molecular Weight 401.504 g/mol
SMILES CCOC(N(C(C(N(C)C(C)C(N(C(C)C(OCCCC)=O)C)=O)=O)C)C)=O