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Hexanoyl glycine, 2-methylpropyl ester

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

Hexanoyl glycine, 2-methylpropyl ester
SpectraBase Compound ID LqQlL9R2e56
InChI InChI=1S/C12H23NO3/c1-4-5-6-7-11(14)13-8-12(15)16-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKey XUDFAKDXRPIJGT-UHFFFAOYSA-N
Mol Weight 229.32 g/mol
Molecular Formula C12H23NO3
Exact Mass 229.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LBxsqGV75ne
Name Hexanoyl glycine, 2-methylpropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.167793602 u
Formula C12H23NO3
InChI InChI=1S/C12H23NO3/c1-4-5-6-7-11(14)13-8-12(15)16-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKey XUDFAKDXRPIJGT-UHFFFAOYSA-N
Molecular Weight 229.320 g/mol
SMILES C(NC(CCCCC)=O)C(=O)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972178