| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PvWeOcjjMH |
|---|---|
| Name | 2-Amino-6-(1-oxododecylamino)hexanoic acid |
| Comments | Computed using HOSE algorithm |
| 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 |