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N-Acetyl-L-glutamine, N-propyl ester

View entire compound with spectra: 1 FTIR

N-Acetyl-L-glutamine, N-propyl ester
SpectraBase Compound ID 4HJOWZSOUMf
InChI InChI=1S/C10H18N2O4/c1-3-6-16-10(15)8(11)4-5-9(14)12-7(2)13/h8H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKey XDKQNBLYVMYIKI-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C10H18N2O4
Exact Mass 230.126657 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LTveN945W2t
Name N-Acetyl-L-glutamine, N-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.126657064 u
Formula C10H18N2O4
InChI InChI=1S/C10H18N2O4/c1-3-6-16-10(15)8(11)4-5-9(14)12-7(2)13/h8H,3-6,11H2,1-2H3,(H,12,13,14)
InChIKey XDKQNBLYVMYIKI-UHFFFAOYSA-N
Molecular Weight 230.264 g/mol
SMILES CC(NC(CCC(C(OCCC)=O)N)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818808