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L-Leucyl-L-o-methylthreonine

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Leucyl-L-o-methylthreonine
SpectraBase Compound ID 6ZqiHbTSpNS
InChI InChI=1S/C11H22N2O4/c1-6(2)5-8(12)10(14)13-9(11(15)16)7(3)17-4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKey BIKGACINNSOHFH-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C11H22N2O4
Exact Mass 246.157957 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LC2TyUvehfm
Name L-Leucyl-L-o-methylthreonine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.157957192 u
Formula C11H22N2O4
InChI InChI=1S/C11H22N2O4/c1-6(2)5-8(12)10(14)13-9(11(15)16)7(3)17-4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)
InChIKey BIKGACINNSOHFH-UHFFFAOYSA-N
Molecular Weight 246.307 g/mol
SMILES CC(CC(C(NC(C(O)=O)C(OC)C)=O)N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963685