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

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

3-Aminobutyric acid, N-propoxycarbonyl-, pentyl ester
SpectraBase Compound ID EUziop6l2ZH
InChI InChI=1S/C13H25NO4/c1-4-6-7-9-17-12(15)10-11(3)14-13(16)18-8-5-2/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey KKGOKHLIFQPWQU-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C13H25NO4
Exact Mass 259.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I1Pc70g0iUh
Name 3-Aminobutyric acid, N-propoxycarbonyl-, pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.178358285 u
Formula C13H25NO4
InChI InChI=1S/C13H25NO4/c1-4-6-7-9-17-12(15)10-11(3)14-13(16)18-8-5-2/h11H,4-10H2,1-3H3,(H,14,16)
InChIKey KKGOKHLIFQPWQU-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES CCCOC(=O)NC(C)CC(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974035