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3-Aminobutyric acid, N-butoxycarbonyl-, propyl ester

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

3-Aminobutyric acid, N-butoxycarbonyl-, propyl ester
SpectraBase Compound ID EKmGQak7vrG
InChI InChI=1S/C12H23NO4/c1-4-6-8-17-12(15)13-10(3)9-11(14)16-7-5-2/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey CDKLGKYYIRREQP-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 2mUjIW2yblb
Name 3-Aminobutyric acid, N-butoxycarbonyl-, propyl 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/c1-4-6-8-17-12(15)13-10(3)9-11(14)16-7-5-2/h10H,4-9H2,1-3H3,(H,13,15)
InChIKey CDKLGKYYIRREQP-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CCCCOC(NC(CC(OCCC)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971912