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Glycine, N-butoxycarbonyl-, isobutyl ester

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Glycine, N-butoxycarbonyl-, isobutyl ester
SpectraBase Compound ID 9QH65rX3v7d
InChI InChI=1S/C11H21NO4/c1-4-5-6-15-11(14)12-7-10(13)16-8-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKey TXTOTYQCLFOZPJ-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 GCmctK5WXHV
Name Glycine, N-butoxycarbonyl-, isobutyl 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/c1-4-5-6-15-11(14)12-7-10(13)16-8-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKey TXTOTYQCLFOZPJ-UHFFFAOYSA-N
Molecular Weight 231.292 g/mol
SMILES CCCCOC(NCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889232