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2-(2-Acetamidopropanoylamino)-4-methyl-pentanoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(2-Acetamidopropanoylamino)-4-methyl-pentanoic acid
SpectraBase Compound ID xiFL8ZrB2A
InChI InChI=1S/C11H20N2O4/c1-6(2)5-9(11(16)17)13-10(15)7(3)12-8(4)14/h6-7,9H,5H2,1-4H3,(H,12,14)(H,13,15)(H,16,17)
InChIKey HIEIIANYSKARKE-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C11H20N2O4
Exact Mass 244.142307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7kaZMk3MmnP
Name 2-(2-Acetamidopropanoylamino)-4-methyl-pentanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.142307128 u
Formula C11H20N2O4
InChI InChI=1S/C11H20N2O4/c1-6(2)5-9(11(16)17)13-10(15)7(3)12-8(4)14/h6-7,9H,5H2,1-4H3,(H,12,14)(H,13,15)(H,16,17)
InChIKey HIEIIANYSKARKE-UHFFFAOYSA-N
Molecular Weight 244.291 g/mol
SMILES C(NC(C(=O)O)CC(C)C)(C(NC(=O)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912255