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L-Glutamic acid, N-(N-butyl)-, dimethyl ester

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

L-Glutamic acid, N-(N-butyl)-, dimethyl ester
SpectraBase Compound ID F3hFOOfqfby
InChI InChI=1S/C11H21NO4/c1-4-5-8-12-9(11(14)16-3)6-7-10(13)15-2/h9,12H,4-8H2,1-3H3
InChIKey KUZASGSAHJMUBJ-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C11H21NO4
Exact Mass 231.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BN6JHJTrjYF
Name L-Glutamic acid, N-(N-butyl)-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.147058156 u
Formula C11H21NO4
InChI InChI=1S/C11H21NO4/c1-4-5-8-12-9(11(14)16-3)6-7-10(13)15-2/h9,12H,4-8H2,1-3H3
InChIKey KUZASGSAHJMUBJ-UHFFFAOYSA-N
Molecular Weight 231.292 g/mol
SMILES COC(CCC(C(OC)=O)NCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95007