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N-(3-Amino-hexanoyl)-3-amino-hexanoic acid, N-(N-propyloxycarbonyl)-, methyl ester

View entire compound with spectra: 1 NMR

N-(3-Amino-hexanoyl)-3-amino-hexanoic acid, N-(N-propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID 3ZJMZ3eFFhr
InChI InChI=1S/C17H32N2O5/c1-5-8-13(19-17(22)24-10-7-3)11-15(20)18-14(9-6-2)12-16(21)23-4/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKey DXBNIWMHIYOBMX-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 Dx1h7cXUulA
Name N-(3-Amino-hexanoyl)-3-amino-hexanoic acid, N-(N-propyloxycarbonyl)-, methyl 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/c1-5-8-13(19-17(22)24-10-7-3)11-15(20)18-14(9-6-2)12-16(21)23-4/h13-14H,5-12H2,1-4H3,(H,18,20)(H,19,22)
InChIKey DXBNIWMHIYOBMX-UHFFFAOYSA-N
Molecular Weight 344.452 g/mol
SMILES C(CC(CC(=O)NC(CCC)CC(=O)OC)NC(OCCC)=O)C