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2-(2-Amino-3-methylbutanamido)-3-phenylpropanoic acid, N,N',N',o-tetrakis-methyl
SpectraBase Compound ID 6H3W64COjlQ
InChI InChI=1S/C18H28N2O3/c1-13(2)16(19(3)4)17(21)20(5)15(18(22)23-6)12-14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3
InChIKey UIAJHGWHBVTTBE-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C18H28N2O3
Exact Mass 320.209993 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EPX0vaIic9w
Name 2-(2-Amino-3-methylbutanamido)-3-phenylpropanoic acid, N,N',N',o-tetrakis-methyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.209992767 u
Formula C18H28N2O3
InChI InChI=1S/C18H28N2O3/c1-13(2)16(19(3)4)17(21)20(5)15(18(22)23-6)12-14-10-8-7-9-11-14/h7-11,13,15-16H,12H2,1-6H3
InChIKey UIAJHGWHBVTTBE-UHFFFAOYSA-N
Molecular Weight 320.433 g/mol
SMILES C(C(CC1=CC=CC=C1)N(C(C(C(C)C)N(C)C)=O)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894167