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2-Amino-6-(1-oxododecylamino)hexanoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Amino-6-(1-oxododecylamino)hexanoic acid
SpectraBase Compound ID 8n17KQyjwWR
InChI InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)
InChIKey GYDYJUYZBRGMCC-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C18H36N2O3
Exact Mass 328.272593 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BsdQv5FWexe
Name 2-Amino-6-(1-oxododecylamino)hexanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.272593024 u
Formula C18H36N2O3
InChI InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)
InChIKey GYDYJUYZBRGMCC-UHFFFAOYSA-N
Molecular Weight 328.497 g/mol
SMILES C(=O)(C(N)CCCCNC(=O)CCCCCCCCCCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807136