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3-Aminobutyric acid, N-(N-butoxycarbonyl-3-aminobutyryl)-, butyl ester

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

3-Aminobutyric acid, N-(N-butoxycarbonyl-3-aminobutyryl)-, butyl ester
SpectraBase Compound ID Bafw5TcLZ1m
InChI InChI=1S/C17H32N2O5/c1-5-7-9-23-16(21)12-14(4)18-15(20)11-13(3)19-17(22)24-10-8-6-2/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKey GNALFAVVBVACCQ-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 ClbHlhCWuxT
Name 3-Aminobutyric acid, N-(N-butoxycarbonyl-3-aminobutyryl)-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 344.231122133 u
Formula C17H32N2O5
InChI InChI=1S/C17H32N2O5/c1-5-7-9-23-16(21)12-14(4)18-15(20)11-13(3)19-17(22)24-10-8-6-2/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKey GNALFAVVBVACCQ-UHFFFAOYSA-N
Molecular Weight 344.452 g/mol
SMILES CCCCOC(NC(CC(NC(CC(OCCCC)=O)C)=O)C)=O