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3-Aminobutyric acid, N-propoxycarbonyl-, isobutyl ester

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3-Aminobutyric acid, N-propoxycarbonyl-, isobutyl ester
SpectraBase Compound ID 31xcSy6nxb4
InChI InChI=1S/C12H23NO4/c1-5-6-16-12(15)13-10(4)7-11(14)17-8-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKey WGBNUBUSIJWVDA-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2KerSYe0D7O
Name 3-Aminobutyric acid, N-propoxycarbonyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.162708221 u
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-5-6-16-12(15)13-10(4)7-11(14)17-8-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKey WGBNUBUSIJWVDA-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CCCOC(=O)NC(C)CC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945531