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3-Aminobutyric acid, N-(N-propoxycarbonyl-3-aminobutyryl)-, pentyl ester

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

3-Aminobutyric acid, N-(N-propoxycarbonyl-3-aminobutyryl)-, pentyl ester
SpectraBase Compound ID FIMvEzdwHzs
InChI InChI=1S/C17H32N2O5/c1-5-7-8-10-23-16(21)12-14(4)18-15(20)11-13(3)19-17(22)24-9-6-2/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKey MVRLWDVFLWICKR-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C17H32N2O5
Exact Mass 344.231122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKDGxyI9iHv
Name 3-Aminobutyric acid, N-(N-propoxycarbonyl-3-aminobutyryl)-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.231122133 u
Formula C17H32N2O5
InChI InChI=1S/C17H32N2O5/c1-5-7-8-10-23-16(21)12-14(4)18-15(20)11-13(3)19-17(22)24-9-6-2/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKey MVRLWDVFLWICKR-UHFFFAOYSA-N
Molecular Weight 344.452 g/mol
SMILES CCCOC(NC(CC(NC(C)CC(OCCCCC)=O)=O)C)=O