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4-Keto-4-[2-[(4-keto-4-methoxy-butanoyl)amino]ethylamino]butyric acid methyl ester

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

4-Keto-4-[2-[(4-keto-4-methoxy-butanoyl)amino]ethylamino]butyric acid methyl ester
SpectraBase Compound ID 8N4WQ8oNJ5R
InChI InChI=1S/C12H20N2O6/c1-19-11(17)5-3-9(15)13-7-8-14-10(16)4-6-12(18)20-2/h3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKey FZUCPKCDBZAWQQ-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C12H20N2O6
Exact Mass 288.132136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4AXR9eqRY6o
Name 4-Keto-4-[2-[(4-keto-4-methoxy-butanoyl)amino]ethylamino]butyric acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.132136366 u
Formula C12H20N2O6
InChI InChI=1S/C12H20N2O6/c1-19-11(17)5-3-9(15)13-7-8-14-10(16)4-6-12(18)20-2/h3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKey FZUCPKCDBZAWQQ-UHFFFAOYSA-N
SMILES C(=O)(NCCNC(=O)CCC(=O)OC)CCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942641