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N-Acetyl-L-glutamine, 2-butyl ester

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

N-Acetyl-L-glutamine, 2-butyl ester
SpectraBase Compound ID 52ADXDAn33k
InChI InChI=1S/C11H20N2O4/c1-4-7(2)17-11(16)9(12)5-6-10(15)13-8(3)14/h7,9H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKey ATPGDZNPHYWLIS-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 LYOrtkL970B
Name N-Acetyl-L-glutamine, 2-butyl ester
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/c1-4-7(2)17-11(16)9(12)5-6-10(15)13-8(3)14/h7,9H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKey ATPGDZNPHYWLIS-UHFFFAOYSA-N
Molecular Weight 244.291 g/mol
SMILES CC(NC(CCC(C(OC(CC)C)=O)N)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911217