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

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

3-Aminobutyric acid, N-propoxycarbonyl-, isohexyl ester
SpectraBase Compound ID BZD1SHcNVu6
InChI InChI=1S/C14H27NO4/c1-5-8-19-14(17)15-12(4)10-13(16)18-9-6-7-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKey ZVTFBNKDIGBZSA-UHFFFAOYSA-N
Mol Weight 273.37 g/mol
Molecular Formula C14H27NO4
Exact Mass 273.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2jcBE9TjXOj
Name 3-Aminobutyric acid, N-propoxycarbonyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.194008349 u
Formula C14H27NO4
InChI InChI=1S/C14H27NO4/c1-5-8-19-14(17)15-12(4)10-13(16)18-9-6-7-11(2)3/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKey ZVTFBNKDIGBZSA-UHFFFAOYSA-N
SMILES CCCOC(=O)NC(C)CC(OCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931165